Query Query
Results
Date
1 substances in Reaxys
2018-03-27 15h:55m:24s (EST)
NH
1. Query O O
Search as: As drawn
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
1/16
2018-03-27 16:00:43
Reaxys ID 160517 View in Reaxys
1/1 CAS Registry Number: 53855-47-3 Chemical Name: ethyl 2-methyl-1H-indole-3-carboxylate; 2methyl-1H-indole-3-carboxylic acid ethyl ester; ethyl (2-methylindol-3-yl)carboxylate; ethyl 2-methyl-3-indolecarboxylate; ethyl 2-methylindole-3-carboxylate; 3-ethoxycarbonyl-2-methylindole; 2-methyl-indole-3-carboxylic acid ethyl ester Linear Structure Formula: C12H13NO2 Molecular Formula: C12H13NO2 Molecular Weight: 203.241 Type of Substance: heterocyclic InChI Key: ICXKIKDXKRONLF-UHFFFAOYSA-N Note:
NH
O
O
Substance Label (18) Label References 2c
Chaabouni; Pinkerton; Abid; Galaup; Chassaing; Synlett; vol. 28; nb. 19; (2017); p. 2614 - 2618, View in Reaxys
3a
Suzuki, Hitomi; Thiruvikraman, S. V.; Osuka, Atsuhiro; Synthesis; nb. 7; (1984); p. 616 - 617, View in Reaxys; Bunce, Richard A.; Randall, Marty H.; Applegate, Kirby G.; Organic Preparations and Procedures International; vol. 34; nb. 5; (2002); p. 493 - 499, View in Reaxys; Liu, Xiao-Guang; Li, Zi-Hao; Xie, Jian-Wei; Liu, Ping; Zhang, Jie; Dai, Bin; Tetrahedron; vol. 72; nb. 5; (2016); p. 653 - 657, View in Reaxys
12
Jiang, Hui; Gao, Shang; Xu, Jinyi; Wu, Xiaoming; Lin, Aijun; Yao, Hequan; Advanced Synthesis and Catalysis; vol. 358; nb. 2; (2016); p. 188 - 194, View in Reaxys
3aa
Qi, Zisong; Yu, Songjie; Li, Xingwei; Organic Letters; vol. 18; nb. 4; (2016); p. 700 - 703, View in Reaxys; Li, Yunyun; Qi, Zisong; Wang, He; Yang, Xifa; Li, Xingwei; Angewandte Chemie - International Edition; vol. 55; nb. 39; (2016); p. 11877 - 11881; Angew. Chem.; vol. 128; nb. 39; (2016); p. 12056 - 12060,5, View in Reaxys
9a
Mishra, Neeraj Kumar; Choi, Miji; Jo, Hyeim; Oh, Yongguk; Sharma, Satyasheel; Han, Sang Hoon; Jeong, Taejoo; Han, Sangil; Lee, Seok-Yong; Kim, In Su; Chemical Communications; vol. 51; nb. 97; (2015); p. 17229 - 17232, View in Reaxys
2a
Wadia, M. S.; Mali, R. S.; Tilve, S. G.; Yadav, V. J.; Synthesis; nb. 4; (1987); p. 401 - 404, View in Reaxys; Takahashi, Naoki; Maeda, Koji; Asano, Yukiyasu; Watanabe, Nobuhide; Bioorganic and Medicinal Chemistry; vol. 22; nb. 1; (2014); p. 488 - 498, View in Reaxys
3e
Kagawa, Natsuko; Takabatake, Hiroki; Masuda, Yoshitake; Tetrahedron Letters; vol. 55; nb. 47; (2014); p. 6427 - 6431, View in Reaxys
18-2
Patent; JANSSEN RandD IRELAND; COOYMANS, Ludwig Paul; DEMIN, Samuel Dominique; HU, Lili; JONCKERS, Tim Hugo Maria; RABOISSON, Pierre Jean-Marie Bernard; TAHRI, Abdellah; VENDEVILLE, Sandrine Marie Helene; WO2012/80447; (2012); (A1) English, View in Reaxys; Patent; Janssen RandD Ireland; Cooymans, Ludwig Paul; Demin, Samuël Dominique; Hu, Lili; Jonckers, Tim Hugo Maria; Raboisson, Pierre Jean-Marie Bernard; Tahri, Abdellah; Vendeville, Sandrine Marie Helene; US2013/267555; (2013); (A1) English, View in Reaxys
13
Patent; Krizaj, David; Prestwich, Glenn D.; Barabas, Peter; Xu, Yong; Ryskamp, Daniel; US2013/303539; (2013); (A1) English, View in Reaxys
26c
Gao, Detian; Back, Thomas G.; Chemistry - A European Journal; vol. 18; nb. 46; (2012); p. 14828 - 14840, View in Reaxys
3b
Bunescu, Ala; Wang, Qian; Zhu, Jieping; Synthesis (Germany); vol. 44; nb. 24; (2012); p. 3811 - 3814; Art.No: SS-2012-Z0772-OP, View in Reaxys
1e
Parlanti, Luca; Discordia, Robert P.; Hynes Jr., John; Miller, Michael M.; O'Grady, Harold R.; Shi, Zhongping; Organic Letters; vol. 9; nb. 19; (2007); p. 3821 - 3824, View in Reaxys
9
Beugelmans et al.; Heterocycles; vol. 12; (1979); p. 811,814, View in Reaxys; Bevk, David; Svete, Jurij; Stanovnik, Branko; Journal of Heterocyclic Chemistry; vol. 42; nb. 7; (2005); p. 1413 - 1415, View in Reaxys
2f
Sakamoto, Takao; Nagano, Tatsuo; Kondo, Yoshinori; Yamanaka, Hiroshi; Synthesis; nb. 3; (1990); p. 215 - 218, View in Reaxys; Hynes Jr., John; Doubleday, Wendel W.; Dyckman, Alaric J.; Godfrey Jr., Jollie D.; Grosso, John A.; Kiau, Susanne; Leftheris, Katerina; Journal of Organic Chemistry; vol. 69; nb. 4; (2004); p. 1368 - 1371, View in Reaxys
29a
Spackamp, W. Nico; Heterocycles; vol. 21; nb. 1; (1984); p. 211 - 234, View in Reaxys
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
2/16
2018-03-27 16:00:43
6
Dijkink, Jan; Zonjee, Johannes N.; Jong, Bart S. de; Speckamp, W. Nico; Heterocycles; vol. 20; nb. 7; (1983); p. 1255 - 1258, View in Reaxys
6a
Mills, Keith; Khawaja, Ibtisam K. Al; Al-Saleh, Fowzia; Joule, John A.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999); (1981); p. 636 - 641, View in Reaxys
IIIb
Saeki et al.; Heterocycles; vol. 2; (1974); p. 447,448, View in Reaxys
Patent-Specific Data (1) Location in Patent References Page/Page column
Patent; Janssen RandD Ireland; Cooymans, Ludwig Paul; Demin, Samuël Dominique; Hu, Lili; Jonckers, Tim Hugo Maria; Raboisson, Pierre Jean-Marie Bernard; Tahri, Abdellah; Vendeville, Sandrine Marie Helene; US2013/267555; (2013); (A1) English, View in Reaxys
Druglikeness (1) 1 of 1
LogP
3.117
H Bond Donors
1
H Bond Acceptors
3
Rotatable Bonds
3
TPSA
42.09
Lipinski Number
4
Veber Number
2
Melting Point (12) 1 of 12
Melting Point [°C]
115 - 118
Location
supporting information
Chaabouni; Pinkerton; Abid; Galaup; Chassaing; Synlett; vol. 28; nb. 19; (2017); p. 2614 - 2618, View in Reaxys 2 of 12
Melting Point [°C]
132 - 135
Location
supporting information
Jiang, Hui; Gao, Shang; Xu, Jinyi; Wu, Xiaoming; Lin, Aijun; Yao, Hequan; Advanced Synthesis and Catalysis; vol. 358; nb. 2; (2016); p. 188 - 194, View in Reaxys 3 of 12
Melting Point [°C]
135 - 136
Wang, Xianxue; Liu, Jin; Guo, Han; Ma, Chao; Gao, Xiai; Zhou, Kang; Huang, Guosheng; Synthesis; vol. 44; nb. 7; (2012); p. 1037 - 1042, View in Reaxys 4 of 12
Melting Point [°C]
134 - 136
Location
supporting information
Ali, Md Ashif; Punniyamurthy, Tharmalingam; Synlett; nb. 5; (2011); p. 623 - 626; Art.No: D26210ST, View in Reaxys 5 of 12
Melting Point [°C]
134 - 136
Solvent (Melting Point)
dichloromethane
Location
supporting information
Gao, Detian; Parvez, Masood; Back, Thomas G.; Chemistry - A European Journal; vol. 16; nb. 48; (2010); p. 14281 - 14284, View in Reaxys 6 of 12
Melting Point [°C]
135 - 136
Location
supporting information
Cui, Sun-Liang; Wang, Jing; Wang, Yan-Guang; Journal of the American Chemical Society; vol. 130; nb. 41; (2008); p. 13526 - 13527, View in Reaxys 7 of 12
Melting Point [°C]
129 - 131
Wadia, M. S.; Mali, R. S.; Tilve, S. G.; Yadav, V. J.; Synthesis; nb. 4; (1987); p. 401 - 404, View in Reaxys 8 of 12
Melting Point [°C]
130 - 132
Dijkink, Jan; Zonjee, Johannes N.; Jong, Bart S. de; Speckamp, W. Nico; Heterocycles; vol. 20; nb. 7; (1983); p. 1255 - 1258, View in Reaxys
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
3/16
2018-03-27 16:00:43
9 of 12
Melting Point [°C]
134 - 135
Houben; Fischer; Chemische Berichte; vol. 64; (1931); p. 2636,2639, View in Reaxys 10 of 12
Melting Point [°C]
135
Solvent (Melting Point)
benzene; light petroleum
Oddo; Gazzetta Chimica Italiana; vol. 42 I; (1912); p. 371, View in Reaxys 11 of 12
Melting Point [°C]
134
Nef; Justus Liebigs Annalen der Chemie; vol. 266; (1891); p. 75, View in Reaxys; Reissert; Heller; Chemische Berichte; vol. 37; (1904); p. 4369, View in Reaxys 12 of 12
Melting Point [°C]
131
Solvent (Melting Point)
ethanol
Walker; American Chemical Journal; vol. 14; (1892); p. 578; American Chemical Journal; vol. 16; (1894); p. 435, View in Reaxys Chromatographic Data (1) Chromatographic Location data
References
TLC (Thin layer chromatography)
Chaabouni; Pinkerton; Abid; Galaup; Chassaing; Synlett; vol. 28; nb. 19; (2017); p. 2614 - 2618, View in Reaxys
supporting information
Crystal Property Description (10) Colour & Other Location Properties
References
yellow
supporting information
Gehling, Victor S.; Vaswani, Rishi G.; Nasveschuk, Christopher G.; Duplessis, Martin; Iyer, Priyadarshini; Balasubramanian, Srividya; Zhao, Feng; Good, Andrew C.; Campbell, Robert; Lee, Christina; Dakin, Les A.; Cook, Andrew S.; Gagnon, Alexandre; Harmange, Jean-Christophe; Audia, James E.; Cummings, Richard T.; Normant, Emmanuel; Trojer, Patrick; Albrecht, Brian K.; Bioorganic and Medicinal Chemistry Letters; vol. 25; nb. 17; (2015); p. 3644 - 3649, View in Reaxys; Chaabouni; Pinkerton; Abid; Galaup; Chassaing; Synlett; vol. 28; nb. 19; (2017); p. 2614 - 2618, View in Reaxys
brown
supporting information
Jiang, Hui; Gao, Shang; Xu, Jinyi; Wu, Xiaoming; Lin, Aijun; Yao, Hequan; Advanced Synthesis and Catalysis; vol. 358; nb. 2; (2016); p. 188 - 194, View in Reaxys
white
supporting information
Qi, Zisong; Yu, Songjie; Li, Xingwei; Organic Letters; vol. 18; nb. 4; (2016); p. 700 703, View in Reaxys; Li, Yunyun; Qi, Zisong; Wang, He; Yang, Xifa; Li, Xingwei; Angewandte Chemie - International Edition; vol. 55; nb. 39; (2016); p. 11877 - 11881; Angew. Chem.; vol. 128; nb. 39; (2016); p. 12056 - 12060,5, View in Reaxys
yellow
Paragraph 00200; Patent; CONSTELLATION PHARMACEUTICALS; ALBRECHT, Brian, K.; AUDIA, 00334 James, Edmund; COOK, Andrew, S.; DAKIN, Les, A.; DUPLESSIS, Martin; GEHLING, Victor, S.; HARMANGE, Jean-Christophe; NAVESCHUK, Christopher, G.; VASWANI, Rishi, G.; WO2013/120104; (2013); (A2) English, View in Reaxys
white
Wang, Xianxue; Liu, Jin; Guo, Han; Ma, Chao; Gao, Xiai; Zhou, Kang; Huang, Guosheng; Synthesis; vol. 44; nb. 7; (2012); p. 1037 - 1042, View in Reaxys
white
supporting information
Cui, Sun-Liang; Wang, Jing; Wang, Yan-Guang; Journal of the American Chemical Society; vol. 130; nb. 41; (2008); p. 13526 - 13527, View in Reaxys; Ali, Md Ashif; Punniyamurthy, Tharmalingam; Synlett; nb. 5; (2011); p. 623 - 626; Art.No: D26210ST, View in Reaxys
brown
supporting information
Wuertz, Sebastian; Rakshit, Souvik; Neumann, Julia J.; Droege, Thomas; Glorius, Frank; Angewandte Chemie - International Edition; vol. 47; nb. 38; (2008); p. 7230 7233, View in Reaxys; Neumann, Julia J.; Rakshit, Souvik; Droege, Thomas; Wuertz, Sebastian; Glorius, Frank; Chemistry - A European Journal; vol. 17; nb. 26; (2011); p. 7298 - 7303, View in Reaxys
yellow
supporting information
Dhayalan, Vasudevan; Clement, J. Arul; Jagan, Radhakrishnan; Mohanakrishnan, Arasambattu K.; European Journal of Organic Chemistry; nb. 4; (2009); p. 531 - 546, View in Reaxys; Gao, Detian; Parvez, Masood; Back, Thomas G.; Chemistry - A European Journal; vol. 16; nb. 48; (2010); p. 14281 - 14284, View in Reaxys
colourless
Maruyama, Jun; Yamashita, Hiromichi; Watanabe, Takeshi; Arai, Shigeru; Nishida, Atsushi; Tetrahedron; vol. 65; nb. 7; (2009); p. 1327 - 1335, View in Reaxys
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
4/16
2018-03-27 16:00:43
Nadeln
Oddo; Gazzetta Chimica Italiana; vol. 42 I; (1912); p. 371, View in Reaxys; Walker; American Chemical Journal; vol. 14; (1892); p. 578; American Chemical Journal; vol. 16; (1894); p. 435, View in Reaxys
NMR Spectroscopy (24) 1 of 24
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
300
Location
supporting information
Chaabouni; Pinkerton; Abid; Galaup; Chassaing; Synlett; vol. 28; nb. 19; (2017); p. 2614 - 2618, View in Reaxys 2 of 24
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
75
Location
supporting information
Chaabouni; Pinkerton; Abid; Galaup; Chassaing; Synlett; vol. 28; nb. 19; (2017); p. 2614 - 2618, View in Reaxys 3 of 24
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
100
Location
supporting information
Cui, Sun-Liang; Wang, Jing; Wang, Yan-Guang; Journal of the American Chemical Society; vol. 130; nb. 41; (2008); p. 13526 - 13527, View in Reaxys; Liu, Xiao-Guang; Li, Zi-Hao; Xie, Jian-Wei; Liu, Ping; Zhang, Jie; Dai, Bin; Tetrahedron; vol. 72; nb. 5; (2016); p. 653 - 657, View in Reaxys 4 of 24
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
300
Location
supporting information
Wuertz, Sebastian; Rakshit, Souvik; Neumann, Julia J.; Droege, Thomas; Glorius, Frank; Angewandte Chemie - International Edition; vol. 47; nb. 38; (2008); p. 7230 - 7233, View in Reaxys; Jiang, Hui; Gao, Shang; Xu, Jinyi; Wu, Xiaoming; Lin, Aijun; Yao, Hequan; Advanced Synthesis and Catalysis; vol. 358; nb. 2; (2016); p. 188 - 194, View in Reaxys 5 of 24
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
13C
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
5/16
2018-03-27 16:00:43
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
75
Location
supporting information
Wuertz, Sebastian; Rakshit, Souvik; Neumann, Julia J.; Droege, Thomas; Glorius, Frank; Angewandte Chemie - International Edition; vol. 47; nb. 38; (2008); p. 7230 - 7233, View in Reaxys; Jiang, Hui; Gao, Shang; Xu, Jinyi; Wu, Xiaoming; Lin, Aijun; Yao, Hequan; Advanced Synthesis and Catalysis; vol. 358; nb. 2; (2016); p. 188 - 194, View in Reaxys 6 of 24
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
400
Location
supporting information
Cui, Sun-Liang; Wang, Jing; Wang, Yan-Guang; Journal of the American Chemical Society; vol. 130; nb. 41; (2008); p. 13526 - 13527, View in Reaxys; Gao, Detian; Parvez, Masood; Back, Thomas G.; Chemistry - A European Journal; vol. 16; nb. 48; (2010); p. 14281 - 14284, View in Reaxys; Ali, Md Ashif; Punniyamurthy, Tharmalingam; Synlett; nb. 5; (2011); p. 623 - 626; Art.No: D26210ST, View in Reaxys; Liu, Xiao-Guang; Li, Zi-Hao; Xie, Jian-Wei; Liu, Ping; Zhang, Jie; Dai, Bin; Tetrahedron; vol. 72; nb. 5; (2016); p. 653 - 657, View in Reaxys 7 of 24
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
400
Location
supporting information
Qi, Zisong; Yu, Songjie; Li, Xingwei; Organic Letters; vol. 18; nb. 4; (2016); p. 700 - 703, View in Reaxys; Li, Yunyun; Qi, Zisong; Wang, He; Yang, Xifa; Li, Xingwei; Angewandte Chemie - International Edition; vol. 55; nb. 39; (2016); p. 11877 - 11881; Angew. Chem.; vol. 128; nb. 39; (2016); p. 12056 - 12060,5, View in Reaxys 8 of 24
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
100
Location
supporting information
Qi, Zisong; Yu, Songjie; Li, Xingwei; Organic Letters; vol. 18; nb. 4; (2016); p. 700 - 703, View in Reaxys; Li, Yunyun; Qi, Zisong; Wang, He; Yang, Xifa; Li, Xingwei; Angewandte Chemie - International Edition; vol. 55; nb. 39; (2016); p. 11877 - 11881; Angew. Chem.; vol. 128; nb. 39; (2016); p. 12056 - 12060,5, View in Reaxys 9 of 24
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy)
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
6/16
2018-03-27 16:00:43
Frequency (NMR Spectroscopy) [MHz]
500
Location
supporting information
Mishra, Neeraj Kumar; Choi, Miji; Jo, Hyeim; Oh, Yongguk; Sharma, Satyasheel; Han, Sang Hoon; Jeong, Taejoo; Han, Sangil; Lee, Seok-Yong; Kim, In Su; Chemical Communications; vol. 51; nb. 97; (2015); p. 17229 17232, View in Reaxys 10 of 24
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
125
Location
supporting information
Mishra, Neeraj Kumar; Choi, Miji; Jo, Hyeim; Oh, Yongguk; Sharma, Satyasheel; Han, Sang Hoon; Jeong, Taejoo; Han, Sangil; Lee, Seok-Yong; Kim, In Su; Chemical Communications; vol. 51; nb. 97; (2015); p. 17229 17232, View in Reaxys 11 of 24
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
25
Frequency (NMR Spectroscopy) [MHz]
300
Original Text (NMR Spectroscopy)
1H NMR (300 MHz, CDCi3): δ 8.12-8.09 (m, 1 H), 7.31-7.16 (m, 3H), 4.40 (q, ./ 6.9 Hz, 2H), 2.77 (s, 3H), 1 .45 (t, J ------- 6.9 Hz, 31 1 ).
Location
Paragraph 00200
Patent; CONSTELLATION PHARMACEUTICALS; ALBRECHT, Brian, K.; AUDIA, James, Edmund; COOK, Andrew, S.; DAKIN, Les, A.; DUPLESSIS, Martin; GEHLING, Victor, S.; HARMANGE, Jean-Christophe; NAVESCHUK, Christopher, G.; VASWANI, Rishi, G.; WO2013/120104; (2013); (A2) English, View in Reaxys 12 of 24
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
400
Maruyama, Jun; Yamashita, Hiromichi; Watanabe, Takeshi; Arai, Shigeru; Nishida, Atsushi; Tetrahedron; vol. 65; nb. 7; (2009); p. 1327 - 1335, View in Reaxys; Wang, Xianxue; Liu, Jin; Guo, Han; Ma, Chao; Gao, Xiai; Zhou, Kang; Huang, Guosheng; Synthesis; vol. 44; nb. 7; (2012); p. 1037 - 1042, View in Reaxys 13 of 24
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
100
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
7/16
2018-03-27 16:00:43
Wang, Xianxue; Liu, Jin; Guo, Han; Ma, Chao; Gao, Xiai; Zhou, Kang; Huang, Guosheng; Synthesis; vol. 44; nb. 7; (2012); p. 1037 - 1042, View in Reaxys 14 of 24
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
100
Location
supporting information
Ali, Md Ashif; Punniyamurthy, Tharmalingam; Synlett; nb. 5; (2011); p. 623 - 626; Art.No: D26210ST, View in Reaxys 15 of 24
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
100.6
Location
supporting information
Ali, Md Ashif; Punniyamurthy, Tharmalingam; Synlett; nb. 5; (2011); p. 623 - 626; Art.No: D26210ST, View in Reaxys 16 of 24
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
101
Location
supporting information
Gao, Detian; Parvez, Masood; Back, Thomas G.; Chemistry - A European Journal; vol. 16; nb. 48; (2010); p. 14281 - 14284, View in Reaxys 17 of 24
Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
200
Original Text (NMR Spectroscopy)
H NMR (200 MHz, CDCl3): δ (ppm)=8.32 (1H), 8.09 (m, 1H), 7.31-7.13 (m, 3H), 4.39 (q, 2H, J=6.8 Hz), 2.74 (s, 3H), 1.45 (t, 3H, J=6.8 Hz).
Comment (NMR Spectroscopy)
Signals given
Signals [ppm]
7.2 - 7.5; 6.51; 4.28; 2.44; 1.36
Kind of signal
m, 5H; s, 2H; q, 2H, J=7.4 Hz; s, 3H; t, 3H, J=7.4 Hz
Patent; FibroGen, Inc.; US2008/4309; (2008); (A1) English, View in Reaxys 18 of 24
Description (NMR Spec- Chemical shifts troscopy)
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
8/16
2018-03-27 16:00:43
Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]
300
Bevk, David; Svete, Jurij; Stanovnik, Branko; Journal of Heterocyclic Chemistry; vol. 42; nb. 7; (2005); p. 1413 1415, View in Reaxys 19 of 24
Nucleus (NMR Spectroscopy)
1H
Coupling Nuclei
1H
Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]
300
Bevk, David; Svete, Jurij; Stanovnik, Branko; Journal of Heterocyclic Chemistry; vol. 42; nb. 7; (2005); p. 1413 1415, View in Reaxys 20 of 24
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CDCl3 scopy) Sakamoto, Takao; Nagano, Tatsuo; Kondo, Yoshinori; Yamanaka, Hiroshi; Synthesis; nb. 3; (1990); p. 215 218, View in Reaxys; Suzuki, Hitomi; Thiruvikraman, S. V.; Osuka, Atsuhiro; Synthesis; nb. 7; (1984); p. 616 617, View in Reaxys 21 of 24
Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- CDCl3 scopy) Comment (NMR Spectroscopy)
1H-1H
Sakamoto, Takao; Nagano, Tatsuo; Kondo, Yoshinori; Yamanaka, Hiroshi; Synthesis; nb. 3; (1990); p. 215 218, View in Reaxys; Suzuki, Hitomi; Thiruvikraman, S. V.; Osuka, Atsuhiro; Synthesis; nb. 7; (1984); p. 616 617, View in Reaxys 22 of 24
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Wadia, M. S.; Mali, R. S.; Tilve, S. G.; Yadav, V. J.; Synthesis; nb. 4; (1987); p. 401 - 404, View in Reaxys 23 of 24
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- CDCl3 scopy) Wadia, M. S.; Mali, R. S.; Tilve, S. G.; Yadav, V. J.; Synthesis; nb. 4; (1987); p. 401 - 404, View in Reaxys 24 of 24
Description (NMR Spec- NMR troscopy) Comment (NMR Spectroscopy)
1H
Beugelmans et al.; Heterocycles; vol. 12; (1979); p. 811,814, View in Reaxys IR Spectroscopy (9)
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
9/16
2018-03-27 16:00:43
1 of 9
Description (IR Spectroscopy)
ATR (attenuated total reflectance); Bands
Solvent (IR Spectroscopy)
neat (no solvent, solid phase)
Location
supporting information
Chaabouni; Pinkerton; Abid; Galaup; Chassaing; Synlett; vol. 28; nb. 19; (2017); p. 2614 - 2618, View in Reaxys 2 of 9
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
potassium bromide
Location
supporting information
Jiang, Hui; Gao, Shang; Xu, Jinyi; Wu, Xiaoming; Lin, Aijun; Yao, Hequan; Advanced Synthesis and Catalysis; vol. 358; nb. 2; (2016); p. 188 - 194, View in Reaxys; Li, Yunyun; Qi, Zisong; Wang, He; Yang, Xifa; Li, Xingwei; Angewandte Chemie - International Edition; vol. 55; nb. 39; (2016); p. 11877 - 11881; Angew. Chem.; vol. 128; nb. 39; (2016); p. 12056 - 12060,5, View in Reaxys 3 of 9
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
potassium bromide
Location
supporting information
Ali, Md Ashif; Punniyamurthy, Tharmalingam; Synlett; nb. 5; (2011); p. 623 - 626; Art.No: D26210ST, View in Reaxys; Mishra, Neeraj Kumar; Choi, Miji; Jo, Hyeim; Oh, Yongguk; Sharma, Satyasheel; Han, Sang Hoon; Jeong, Taejoo; Han, Sangil; Lee, Seok-Yong; Kim, In Su; Chemical Communications; vol. 51; nb. 97; (2015); p. 17229 - 17232, View in Reaxys 4 of 9
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
potassium bromide
Wang, Xianxue; Liu, Jin; Guo, Han; Ma, Chao; Gao, Xiai; Zhou, Kang; Huang, Guosheng; Synthesis; vol. 44; nb. 7; (2012); p. 1037 - 1042, View in Reaxys 5 of 9
Description (IR Spectroscopy)
Bands
Location
supporting information
Gao, Detian; Parvez, Masood; Back, Thomas G.; Chemistry - A European Journal; vol. 16; nb. 48; (2010); p. 14281 - 14284, View in Reaxys 6 of 9
Description (IR Spectroscopy)
Mid IR (MIR); Bands
Solvent (IR Spectroscopy)
potassium bromide
Location
supporting information
Cui, Sun-Liang; Wang, Jing; Wang, Yan-Guang; Journal of the American Chemical Society; vol. 130; nb. 41; (2008); p. 13526 - 13527, View in Reaxys 7 of 9
Description (IR Spectroscopy)
Mid IR (MIR); ATR-FTIR (attenuated total reflectance Fourier transform infrared spectroscopy); Bands
Location
supporting information
Wuertz, Sebastian; Rakshit, Souvik; Neumann, Julia J.; Droege, Thomas; Glorius, Frank; Angewandte Chemie - International Edition; vol. 47; nb. 38; (2008); p. 7230 - 7233, View in Reaxys 8 of 9
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
CHCl3
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
10/16
2018-03-27 16:00:43
Comment (IR Spectroscopy)
3460 - 1690 cm**(-1)
Sakamoto, Takao; Nagano, Tatsuo; Kondo, Yoshinori; Yamanaka, Hiroshi; Synthesis; nb. 3; (1990); p. 215 218, View in Reaxys 9 of 9
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
KBr
Comment (IR Spectroscopy)
3300 - 730 cm**(-1)
Suzuki, Hitomi; Thiruvikraman, S. V.; Osuka, Atsuhiro; Synthesis; nb. 7; (1984); p. 616 - 617, View in Reaxys Mass Spectrometry (9) Description (Mass Location Spectrometry)
Comment (Mass Spectrometry)
References
desorption chemi- supporting inforcal ionization mation (DCI); spectrum
Chaabouni; Pinkerton; Abid; Galaup; Chassaing; Synlett; vol. 28; nb. 19; (2017); p. 2614 - 2618, View in Reaxys
gas chromatogra- supporting inforphy mass specmation trometry (GCMS); electron impact (EI); spectrum
Liu, Xiao-Guang; Li, Zi-Hao; Xie, Jian-Wei; Liu, Ping; Zhang, Jie; Dai, Bin; Tetrahedron; vol. 72; nb. 5; (2016); p. 653 - 657, View in Reaxys
high resolution supporting informass spectrome- mation try (HRMS); electrospray ionisation (ESI); timeof-flight mass spectra (TOFMS); spectrum
Jiang, Hui; Gao, Shang; Xu, Jinyi; Wu, Xiaoming; Lin, Aijun; Yao, Hequan; Advanced Synthesis and Catalysis; vol. 358; nb. 2; (2016); p. 188 - 194, View in Reaxys
high resolution mass spectrometry (HRMS); electron impact (EI); spectrum
Mishra, Neeraj Kumar; Choi, Miji; Jo, Hyeim; Oh, Yongguk; Sharma, Satyasheel; Han, Sang Hoon; Jeong, Taejoo; Han, Sangil; Lee, Seok-Yong; Kim, In Su; Chemical Communications; vol. 51; nb. 97; (2015); p. 17229 - 17232, View in Reaxys
supporting information
liquid chromatog- Paragraph 00334 raphy mass spectrometry (LCMS); spectrum
Patent; CONSTELLATION PHARMACEUTICALS; ALBRECHT, Brian, K.; AUDIA, James, Edmund; COOK, Andrew, S.; DAKIN, Les, A.; DUPLESSIS, Martin; GEHLING, Victor, S.; HARMANGE, Jean-Christophe; NAVESCHUK, Christopher, G.; VASWANI, Rishi, G.; WO2013/120104; (2013); (A2) English, View in Reaxys
HRMS (High resolution mass spectrometry); Spectrum
Wang, Xianxue; Liu, Jin; Guo, Han; Ma, Chao; Gao, Xiai; Zhou, Kang; Huang, Guosheng; Synthesis; vol. 44; nb. 7; (2012); p. 1037 - 1042, View in Reaxys
HRMS (High resolution mass spectrometry); ESI (Electrospray ionisation)
supporting information
EI (Electron impact); Spectrum
supporting information
ESI (Electrospray ionisation)
supporting information
mol peak
Cui, Sun-Liang; Wang, Jing; Wang, Yan-Guang; Journal of the American Chemical Society; vol. 130; nb. 41; (2008); p. 13526 13527, View in Reaxys
Wuertz, Sebastian; Rakshit, Souvik; Neumann, Julia J.; Droege, Thomas; Glorius, Frank; Angewandte Chemie - International Edition; vol. 47; nb. 38; (2008); p. 7230 - 7233, View in Reaxys mol peak
Cui, Sun-Liang; Wang, Jing; Wang, Yan-Guang; Journal of the American Chemical Society; vol. 130; nb. 41; (2008); p. 13526 13527, View in Reaxys; Wuertz, Sebastian; Rakshit, Souvik; Neumann, Julia J.; Droege, Thomas; Glorius, Frank; Angewandte Chemie - International Edition; vol. 47; nb. 38; (2008); p. 7230 7233, View in Reaxys
UV/VIS Spectroscopy (1)
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
11/16
2018-03-27 16:00:43
1 of 1
Description (UV/VIS Spectroscopy)
Absorption maxima
Solvent (UV/VIS Spectroscopy)
ethanol
Absorption Maxima (UV/ 215; 253; 282 VIS) [nm] Cookson; Journal of the Chemical Society; (1953); p. 2789,2792, View in Reaxys Medchem (12) 1 of 12
Target Name
Prostaglandin G/H synthase 1
Target Synonyms
cox-1; cox1 (prostaglandin g/h synthase 1); cyclooxygenase-1; pgh synthase 1; pghs-1; phs 1; prostaglandin g/h synthase 1; prostaglandin h2 synthase 1; prostaglandin-endoperoxide synthase 1; ptgs1
Target, Subunit, Species Prostaglandin G/H synthase 1
2 of 12
Target Mutant/Chimera Details
Prostaglandin G/H synthase 1:Wild
Substance Action on Target
Inhibitor
Substance Effect
inhibitory activity
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Inhibitory activity of the compound against cyclooxygenase-1 was measured using PGH2 production by purified enzyme assay
Substance RN
160517View in Reaxys
Qualitative Results
Not Published
Measurement Parameter
Qualitative
Measurement Object
PGH2 production
Qualitative value
Not Published
Target Name
Prostaglandin G/H synthase 2
Target Synonyms
cef-147; cox-2; cox2 (prostaglandin g/h synthase 2); cyclooxygenase-2; glucocorticoidregulated inflammatory cyclooxygenase; gripghs; macrophage activation-associated marker protein p71/73; mitogen-inducible pghs; pes-2; pgh synthase 2; pghs-2; pghs-b; phs ii; prostaglandin g/h synthase 2; prostaglandin h2 synthase 2; prostaglandin-endoperoxide synthase 2; ptgs2; tis10; tis10 protein
Target, Subunit, Species Prostaglandin G/H synthase 2
3 of 12
Target Mutant/Chimera Details
Prostaglandin G/H synthase 2:Wild
Substance Action on Target
Inhibitor
Substance Effect
inhibitory activity
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Inhibitory activity of the compound against cyclooxygenase-2 was measured using PGH2 production by purified enzyme assay
Substance RN
160517View in Reaxys
Qualitative Results
Not Published
Measurement Parameter
Qualitative
Measurement Object
PGH2 production
Qualitative value
Not Published
Target Name
Prostaglandin G/H synthase 1 [human]
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
12/16
2018-03-27 16:00:43
Target Synonyms
cox-1; cox1; cyclooxygenase-1; pgh synthase 1; pghs-1; phs 1; prostaglandin g/h synthase 1; prostaglandin h2 synthase 1; prostaglandin-endoperoxide synthase 1; ptgs1
Target Uniprot ID
p23219
Target, Subunit, Species Prostaglandin G/H synthase 1 [human]
4 of 12
Target Mutant/Chimera Details
Prostaglandin G/H synthase 1 [human]:Wild
Target Species (Bioactivity)
human
Substance Action on Target
Inhibitor
Substance Effect
inhibitory activity
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Inhibitory activity of the compound against cyclooxygenase-2 in human blood serum upon incubation for 5 minutes at 4 degree C by human whole blood assay
Substance RN
160517View in Reaxys
Qualitative Results
Not Published
Measurement Parameter
Qualitative
Qualitative value
Not Published
Target Name
cannabinoid receptor [human]
Target Synonyms
cannabinoid receptor
Target, Subunit, Species cannabinoid receptor [human]
5 of 12
Target Mutant/Chimera Details
cannabinoid receptor [human]:Wild
Target Species (Bioactivity)
human
Substance Action on Target
Radioligand (/ligand)
Substance Effect
binding activity
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Binding activity of the compound towards human cannabinoid receptor in CHO cells upon incubation for 1 hour at 30 degree C using 0.2 nM CP 55,940 as radioligand by binbing assay
Substance RN
160517View in Reaxys
Qualitative Results
Not Published
Measurement Parameter
Qualitative
Qualitative value
Not Published
Target Name
thromboxane A2 receptor
Target Synonyms
prostanoid tp receptor; tbxa2r; thromboxane a2 receptor; txa(2) receptor; txa2 receptor; txa2-r; txr2
Target, Subunit, Species thromboxane A2 receptor Target Mutant/Chimera Details
thromboxane A2 receptor:Wild
Substance Action on Target
Radioligand (/ligand)
Substance Effect
binding activity
Bioassay Category
In Vitro (Efficacy)
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
13/16
2018-03-27 16:00:43
6 of 12
Bioassay Details
Binding activity of the compound against thromboxane A2 receptor upon incubation for 1 hour at 30 degree C in 25 mM HEPES, 2 mM EDTA, CHAPs buffer using 50,000-70,000 cpm [125I]BOP as radioligand by binding assay
Substance RN
160517View in Reaxys
Qualitative Results
Not Published
Measurement Parameter
Qualitative
Qualitative value
Not Published
Target Name
Prostaglandin G/H synthase 2 [human]; Prostaglandin G/H synthase 1 [human]
Target Synonyms
cox-2; cox2; cyclooxygenase-2; pgh synthase 2; pghs-2; phs ii; prostaglandin g/h synthase 2; prostaglandin h2 synthase 2; prostaglandin-endoperoxide synthase 2; ptgs2 + cox-1; cox1; cyclooxygenase-1; pgh synthase 1; pghs-1; phs 1; prostaglandin g/h synthase 1; prostaglandin h2 synthase 1; prostaglandin-endoperoxide synthase 1; ptgs1
Target Uniprot ID
p35354 + p23219
Target, Subunit, Species Prostaglandin G/H synthase 2 [human]; Prostaglandin G/H synthase 1 [human]
7 of 12
Target Mutant/Chimera Details
Prostaglandin G/H synthase 2 [human]:Wild; Prostaglandin G/H synthase 1 [human]:Wild
Target Species (Bioactivity)
human; human
Substance Action on Target
Inhibitor
Substance Effect
inhibitory activity
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Inhibitory activity of the compound against cyclooxygenase-1 in human blood serum upon incubation for 5 minutes at 4 degree C by human whole blood assay
Substance RN
160517View in Reaxys
Qualitative Results
Not Published
Measurement Parameter
Qualitative
Qualitative value
Not Published
Target Name
D-amino-acid oxidase [human]
Target Synonyms
d-amino-acid oxidase; daao; damox; dao
Target Uniprot ID
p14920
Target PDB ID
2du8; 2e48; 2e49; 2e4a; 2e82; 3cuk; 3g3e; 3w4i; 3w4j; 3w4k; 3znn; 3zno; 3znp; 3znq; 4qfc; 4qfd
Target, Subunit, Species D-amino-acid oxidase [human] Target Mutant/Chimera Details
D-amino-acid oxidase [human]:Wild
Target Species (Bioactivity)
human
Substance Action on Target
Inhibitor
Substance Effect
inhibitory activity
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Percent inhibition of the compound (10 uM) dissolved in DMSO against human porcine kidney D-amino acid oxidase
Substance RN
160517View in Reaxys
Measurement Parameter
% Inhibition
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
14/16
2018-03-27 16:00:43
8 of 12
Unit
%
Qualitative value
<
Quantitative value
1
Target Name
Prostaglandin D2 receptor
Target Synonyms
pgd receptor; pgd receptor-like; pgd2 receptor; pgd2 receptor-like; prostaglandin d2 receptor; prostaglandin d2 receptor-like; prostanoid dp receptor; prostanoid dp receptor-like; ptgdr; ptgdr2 (prostaglandin d2 receptor); ptgdrl
Target, Subunit, Species Prostaglandin D2 receptor
9 of 12
Target Mutant/Chimera Details
Prostaglandin D2 receptor:Wild
Substance Action on Target
Antagonist
Substance Effect
antagonistic activity
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Antagonistic activity of the compound to against DP-1 receptor upon incubation for 90 minutes at room temperature in EIA buffer by antagonist assay
Substance RN
160517View in Reaxys
Qualitative Results
Not Published
Measurement Parameter
Qualitative
Qualitative value
Not Published
Target Name
Prostaglandin D2 receptor
Target Synonyms
pgd receptor; pgd receptor-like; pgd2 receptor; pgd2 receptor-like; prostaglandin d2 receptor; prostaglandin d2 receptor-like; prostanoid dp receptor; prostanoid dp receptor-like; ptgdr; ptgdr2 (prostaglandin d2 receptor); ptgdrl
Target, Subunit, Species Prostaglandin D2 receptor
10 of 12
Target Mutant/Chimera Details
Prostaglandin D2 receptor:Wild
Substance Action on Target
Agonist
Substance Effect
agonistic activity
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Agonistic activity of the compound to against DP-1 receptor upon incubation for 90 minutes at room temperature in EIA buffer by agonist assay
Substance RN
160517View in Reaxys
Qualitative Results
Not Published
Measurement Parameter
Qualitative
Qualitative value
Not Published
Target Name
Prostaglandin D2 receptor 2
Target Synonyms
chemoattractant receptor-homologous molecule expressed on th2 cells; crth2; dl1r; g protein-coupled receptor 44; g-protein coupled receptor 44; gpr44; prostaglandin d2 receptor 2; ptgdr2 (prostaglandin d2 receptor 2)
Target, Subunit, Species Prostaglandin D2 receptor 2 Target Mutant/Chimera Details
Prostaglandin D2 receptor 2:Wild
Substance Action on Target
Inhibitor
Substance Effect
inhibitory activity
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
15/16
2018-03-27 16:00:43
11 of 12
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Inhibitory activity of the compound against CRTH2 receptor
Substance RN
160517View in Reaxys
Qualitative Results
Not Published
Measurement Parameter
Qualitative
Qualitative value
Not Published
Target Name
Fatty-acid amide hydrolase 1 [human]
Target Synonyms
anandamide amidohydrolase 1; faah (fatty-acid amide hydrolase 1); faah1; fatty-acid amide hydrolase 1; oleamide hydrolase 1
Target Uniprot ID
o00519
Target, Subunit, Species Fatty-acid amide hydrolase 1 [human]
12 of 12
Target Mutant/Chimera Details
Fatty-acid amide hydrolase 1 [human]:Wild
Target Species (Bioactivity)
human
Substance Action on Target
Inhibitor
Substance Effect
inhibitory activity
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Inhibitory activity of the compound against FAAH in human brain homogenate upon incubation for 10 minutes at 37 degree C in 1 mg/mL BSA, 10 mM Tris-HCl, pH 6.5 using [3H]ethanolamine as radioligand
Substance RN
160517View in Reaxys
Qualitative Results
Not Published
Measurement Parameter
Qualitative
Qualitative value
Not Published
Target Name
Ionotropic glutamate NMDA receptor
Target Synonyms
ionotropic glutamate nmda receptor
Target, Subunit, Species Ionotropic glutamate NMDA receptor Target Mutant/Chimera Details
Ionotropic glutamate NMDA receptor:Wild
Substance Action on Target
Radioligand (/ligand)
Substance Effect
binding activity
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Binding activity of the compound towards NMDA receptor using [3H]MDL105,519 as radioligand
Substance RN
160517View in Reaxys
Qualitative Results
Not Published
Measurement Parameter
Qualitative
Qualitative value
Not Published
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
16/16
2018-03-27 16:00:43