Reaxys
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Bioactivities (40)
SigmaAldrich
Reactions (11849)
Substances (1)
Structure
Targets (9)
Citations (6178)
N° of preparations All Preps | All Reactions
Structure/Compound Data Chemical Name: pyridine-2-carbaldehyde
115 prep out of 11849 reactions.
Reaxys Registry Number: 105341
CAS Registry Number: 1121-60-4 Type of Substance: heterocyclic Molecular Formula: C6H5NO Linear Structure Formula: (COH)C5NH4
Molecular Weight: 107.112 InChI Key: CSDSSGBPEUDDEE-UHFFFAOYSA-N
1
Available Data
Target
N° of ref.
Druglikeness
Bioactivity
Identification Physical Data (127) Spectra (133) Other Data (35)
Show Targets
6178
Synthesize | Hide Details Find similar Chemical Names and Synonyms pyridine-2-carbaldehyde, pyridine-2- carbaldehyde, 2-Pyridine carboxaldehyde, 2-pyridinecarboxyaldehyde, Pyridine-2-carboxaldehyde Druglikeness Bioactivity In vitro: Efficacy (37) Quantitative Results pX
Parameter
2.48
MIC
Value (qual)
Value (quant)
Unit
3333
µM
Action on Target
Target
Tissue/Organ
Cell
Bioassay In Vitro (others)
Dose
Effect
Reference (expand all/collapse all)
Antibiotic
Applied Organometallic C...
Title/Abstract Full Text View citing articles Show Details
Patel, Mohan N.; Parmar, Pradhuman A.; Gandhi, Deepen S.
Applied Organometallic Chemistry, 2011 , vol. 25, # 1 p. 27 - 33 Title/Abstract Full Text View citing articles Show Details
2.43
MIC
3739
µM
In Vitro (others)
Antibiotic
Applied Organometallic C...
Title/Abstract Full Text View citing articles Show Details
In Vitro (others)
Antibiotic
Applied Organometallic C...
Title/Abstract Full Text View citing articles Show Details
In Vitro (others)
Antibiotic
Applied Organometallic C...
Title/Abstract Full Text View citing articles Show Details
In Vitro (others)
Antibiotic
Applied Organometallic C...
Title/Abstract Full Text View citing articles Show Details
In Vitro (others)
Antimicrobial
Nucleosides, Nucleotides...
Title/Abstract Full Text View citing articles Show Details
In Vitro (others)
Antimicrobial
Nucleosides, Nucleotides...
Title/Abstract Full Text View citing articles Show Details
In Vitro (others)
Antimicrobial
Nucleosides, Nucleotides...
Title/Abstract Full Text View citing articles Show Details
In Vitro (others)
Antimicrobial
Nucleosides, Nucleotides...
Title/Abstract Full Text View citing articles Show Details
In Vitro (others)
Antimicrobial
Nucleosides, Nucleotides...
Title/Abstract Full Text View citing articles Show Details
Patel, Mohan N.; Parmar, Pradhuman A.; Gandhi, Deepen S.
Applied Organometallic Chemistry, 2011 , vol. 25, # 1 p. 27 - 33 Title/Abstract Full Text View citing articles Show Details
2.42
MIC
3821
µM
Patel, Mohan N.; Parmar, Pradhuman A.; Gandhi, Deepen S.
Applied Organometallic Chemistry, 2011 , vol. 25, # 1 p. 27 - 33 Title/Abstract Full Text View citing articles Show Details
2.47
MIC
3414
µM
Patel, Mohan N.; Parmar, Pradhuman A.; Gandhi, Deepen S.
Applied Organometallic Chemistry, 2011 , vol. 25, # 1 p. 27 - 33 Title/Abstract Full Text View citing articles Show Details
2.54
MIC
2902
µM
Patel, Mohan N.; Parmar, Pradhuman A.; Gandhi, Deepen S.
Applied Organometallic Chemistry, 2011 , vol. 25, # 1 p. 27 - 33 Title/Abstract Full Text View citing articles Show Details
2.48
MIC
3333
µM
Patel; Gandhi; Parmar
Nucleosides, Nucleotides and Nucleic Acids, 2012 , vol. 31, # 6 p. 445 - 460 Title/Abstract Full Text View citing articles Show Details
2.43
MIC
3739
µM
Patel; Gandhi; Parmar
Nucleosides, Nucleotides and Nucleic Acids, 2012 , vol. 31, # 6 p. 445 - 460 Title/Abstract Full Text View citing articles Show Details
2.42
MIC
3821
µM
Patel; Gandhi; Parmar
Nucleosides, Nucleotides and Nucleic Acids, 2012 , vol. 31, # 6 p. 445 - 460 Title/Abstract Full Text View citing articles Show Details
2.47
MIC
3414
µM
Patel; Gandhi; Parmar
Nucleosides, Nucleotides and Nucleic Acids, 2012 , vol. 31, # 6 p. 445 - 460 Title/Abstract Full Text View citing articles Show Details
2.54
MIC
2902
µM
Patel; Gandhi; Parmar
Nucleosides, Nucleotides and Nucleic Acids, 2012 , vol. 31, # 6 p. 445 - 460
Title/Abstract Full Text View citing articles Show Details
1
Ki
>
100
µM
brain cortex
cells
Binding
Journal of Medicinal Che...
Title/Abstract Full Text View citing articles Show Details
Cain; Weber; Guzman; Cook; Barker; Rice; Crawley; Paul; Skolnick
Journal of Medicinal Chemistry, 1982 , vol. 25, # 9 p. 1081 - 1091 Title/Abstract Full Text View citing articles Show Details
4
Kd
100
µM
Radioligand (/ligand)
Tyrosine-protein phosphatase nonreceptor type 1:Wild
Binding
Bioorganic and Medicinal...
Title/Abstract Full Text View citing articles Show Details
Ockey, Denise A.; Gadek, Thomas R.
Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 2 p. 389 - 391 Title/Abstract Full Text View citing articles Show Details
1
IC50
>
300
µM
Tyrosine-protein phosphatase nonreceptor type 1:Wild
Enzymology inhibition
Bioorganic and Medicinal...
Title/Abstract Full Text View citing articles Show Details
Ockey, Denise A.; Gadek, Thomas R.
Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 2 p. 389 - 391 Title/Abstract Full Text View citing articles Show Details
3.8
EC50
16.85
mg/L
In Vitro (others)
Antialgae
Environmental Toxicology...
Title/Abstract Full Text View citing articles Show Details
Tsai, Kuo-Pei; Chen, Chung-Yuan
Environmental Toxicology and Chemistry, 2007 , vol. 26, # 9 p. 1931 - 1939 Title/Abstract Full Text View citing articles Show Details
Activity
>
100
%
2-Keto-3-Deoxy-6Phosphogluconate Aldolase [Escherichia coli]:Wild
Bioorganic and medicinal...
Title/Abstract Full Text View citing articles Show Details
Griffiths, Jennifer S; Wymer, Nathan J; Njolito, Eugenia; Niranjanakumari; Fierke, Carol A; Toone, Eric J
Bioorganic and medicinal chemistry, 2002 , vol. 10, # 3 p. 545 - 550 Title/Abstract Full Text View citing articles Show Details
Activity
=
25
%
2-Keto-3-Deoxy-6Phosphogluconate Aldolase [Thermotoga maritima]:Wild
Bioorganic and medicinal...
Title/Abstract Full Text View citing articles Show Details
Griffiths, Jennifer S; Wymer, Nathan J; Njolito, Eugenia; Niranjanakumari; Fierke, Carol A; Toone, Eric J
Bioorganic and medicinal chemistry, 2002 , vol. 10, # 3 p. 545 - 550 Title/Abstract Full Text View citing articles Show Details
3.91
Km
=
123.2
µM
Radioligand (/ligand)
Dehydrogenase:Wild
2 mM
Biochemical and Biophysi...
Title/Abstract Full Text View citing articles Show Details
Ling, Hongbo; Wang, Guojun; Tian, Yuqing; Liu, Gang; Tan, Huarong
Biochemical and Biophysical Research Communications, 2007 , vol. 361, # 1 p. 196 - 201 Title/Abstract Full Text View citing articles Show Details
2.47
MIC
=
3414
µM
Antimicrobial
Journal of Enzyme Inhibi...
Title/Abstract Full Text View citing articles Show Details
Patel, Mohan N.; Parmar, Pradhuman A.; Gandhi, Deepen S.
Journal of Enzyme Inhibition and Medicinal Chemistry, 2011 , vol. 26, # 2 p. 188 - 197 Title/Abstract Full Text View citing articles Show Details
2.54
MIC
=
2902
µM
Antimicrobial
Journal of Enzyme Inhibi...
Title/Abstract Full Text View citing articles Show Details
Patel, Mohan N.; Parmar, Pradhuman A.; Gandhi, Deepen S.
Journal of Enzyme Inhibition and Medicinal Chemistry, 2011 , vol. 26, # 2 p. 188 - 197 Title/Abstract Full Text View citing articles Show Details
2.43
MIC
=
3739
µM
Antimicrobial
Journal of Enzyme Inhibi...
Title/Abstract Full Text View citing articles Show Details
Patel, Mohan N.; Parmar, Pradhuman A.; Gandhi, Deepen S.
Journal of Enzyme Inhibition and Medicinal Chemistry, 2011 , vol. 26, # 2 p. 188 - 197 Title/Abstract Full Text View citing articles Show Details
pX
Parameter
Value (qual)
Value (quant)
Unit
2.42
MIC
=
3821
µM
Action on Target
Target
Tissue/Organ
Cell
Bioassay
Dose
Effect
Reference (expand all/collapse all)
Antimicrobial
Journal of Enzyme Inhibi...
Title/Abstract Full Text View citing articles Show Details
Antimicrobial
Journal of Enzyme Inhibi...
Title/Abstract Full Text View citing articles Show Details
Patel, Mohan N.; Parmar, Pradhuman A.; Gandhi, Deepen S.
Journal of Enzyme Inhibition and Medicinal Chemistry, 2011 , vol. 26, # 2 p. 188 - 197 Title/Abstract Full Text View citing articles Show Details
2.48
MIC
=
3333
µM
Patel, Mohan N.; Parmar, Pradhuman A.; Gandhi, Deepen S.
Journal of Enzyme Inhibition and Medicinal Chemistry, 2011 , vol. 26, # 2 p. 188 - 197 Title/Abstract Full Text View citing articles Show Details
2.43
MIC
=
3739
µM
Bioorganic and Medicinal...
Title/Abstract Full Text View citing articles Show Details
Patel, Mohan N.; Parmar, Pradhuman A.; Gandhi, Deepen S.
Bioorganic and Medicinal Chemistry, 2010 , vol. 18, # 3 p. 1227 - 1235 Title/Abstract Full Text View citing articles Show Details
2.42
MIC
=
3821
µM
Bioorganic and Medicinal...
Title/Abstract Full Text View citing articles Show Details
Patel, Mohan N.; Parmar, Pradhuman A.; Gandhi, Deepen S.
Bioorganic and Medicinal Chemistry, 2010 , vol. 18, # 3 p. 1227 - 1235 Title/Abstract Full Text View citing articles Show Details
2.54
MIC
=
2902
µM
Bioorganic and Medicinal...
Title/Abstract Full Text View citing articles Show Details
Patel, Mohan N.; Parmar, Pradhuman A.; Gandhi, Deepen S.
Bioorganic and Medicinal Chemistry, 2010 , vol. 18, # 3 p. 1227 - 1235 Title/Abstract Full Text View citing articles Show Details
2.47
MIC
=
3414
µM
Bioorganic and Medicinal...
Title/Abstract Full Text View citing articles Show Details
Patel, Mohan N.; Parmar, Pradhuman A.; Gandhi, Deepen S.
Bioorganic and Medicinal Chemistry, 2010 , vol. 18, # 3 p. 1227 - 1235 Title/Abstract Full Text View citing articles Show Details
2.48
MIC
=
3333
µM
Bioorganic and Medicinal...
Title/Abstract Full Text View citing articles Show Details
Patel, Mohan N.; Parmar, Pradhuman A.; Gandhi, Deepen S.
Bioorganic and Medicinal Chemistry, 2010 , vol. 18, # 3 p. 1227 - 1235 Title/Abstract Full Text View citing articles Show Details
6.59
pIC50
=
6.59
Ponraj, Kannapiran; Prabhakar, Maddela; Rathore; Bommakanti, Akhila; Kondapi, Anand K.
Current Pharmaceutical Design, 2013 , vol. 19, # 26 p. 4776 - 4786
SUPT1 cell line
Antiviral
Current Pharmaceutical D...
Title/Abstract Full Text View citing articles Show Details
Title/Abstract Full Text View citing articles Show Details
6.59
pIC50
=
6.59
Inhibitor
Topoisomerase dna ii 180kda (Beta) [Human immunodeficiency virus 1]:Wild
Current Pharmaceutical D...
Title/Abstract Full Text View citing articles Show Details
Ponraj, Kannapiran; Prabhakar, Maddela; Rathore; Bommakanti, Akhila; Kondapi, Anand K.
Current Pharmaceutical Design, 2013 , vol. 19, # 26 p. 4776 - 4786 Title/Abstract Full Text View citing articles Show Details
Activity
=
56
%
Patent: US7794993 B2, ...
Title/Abstract Full Text Show Details
Patent: US7794993 B2, ...
Title/Abstract Full Text Show Details
Patent: US2010/317075 ...
Title/Abstract Full Text Show Details
Kaneka Corporation
Patent: US7794993 B2, 2010 ; Title/Abstract Full Text Show Details
Activity
=
1
%
Kaneka Corporation
Patent: US7794993 B2, 2010 ; Title/Abstract Full Text Show Details
Activity
=
56
%
SOUICHI MORIKAWA; NORIYUKI KIZAKI; MIHO YANO; MASAHIRO FUNAKI; TERUAKI TAKESUE; YOSHIHIKO YASOHARA; TAKAHISA NAKAI; MICHIHIKO KATAOKA; SAKAYU SHIMIZU
Patent: US2010/317075 A1, 2010 ; Title/Abstract Full Text Show Details
Activity
=
1
%
Patent: US2010/317075 ...
Title/Abstract Full Text Show Details
SOUICHI MORIKAWA; NORIYUKI KIZAKI; MIHO YANO; MASAHIRO FUNAKI; TERUAKI TAKESUE; YOSHIHIKO YASOHARA; TAKAHISA NAKAI; MICHIHIKO KATAOKA; SAKAYU SHIMIZU
Patent: US2010/317075 A1, 2010 ; Title/Abstract Full Text Show Details
Qualitative Information 1 of 4
2 of 4
3 of 4
Effect
Genotoxic
Biological material
HL-60 cell line
Citation
Ogata; Inoue; Iwata; Okumura; Taguchi
Bioscience, biotechnology, and biochemistry, 2001 , vol. 65, # 10 p. 2337 - 2339 Title/Abstract Full Text Show Details
Target
Dehydrogenase:Wild
Substance action on target
Radioligand (/ligand)
Assay Description
Catalytic constant of the compound towards Dehydrogenase to that of Michelis-Menten constant was determined
Results
kcat/Km not calculated
Citation
Ling, Hongbo; Wang, Guojun; Tian, Yuqing; Liu, Gang; Tan, Huarong
Biochemical and Biophysical Research Communications, 2007 , vol. 361, # 1 p. 196 - 201 Title/Abstract Full Text View citing articles Show Details
Target
carbonyl reductase (NADPH):Wild
4 of 4
Assay Description
Activity of the compound against Carbonyl reductase
Results
Not Published
Citation
Kaneka Corporation
Patent: US7794993 B2, 2010 ; Title/Abstract Full Text Show Details
Target
carbonyl reductase (NADPH):Wild
Assay Description
Activity of the compound against Carbonyl reductase
Results
Not Published
Citation
SOUICHI MORIKAWA; NORIYUKI KIZAKI; MIHO YANO; MASAHIRO FUNAKI; TERUAKI TAKESUE; YOSHIHIKO YASOHARA; TAKAHISA NAKAI; MICHIHIKO KATAOKA; SAKAYU SHIMIZU
Patent: US2010/317075 A1, 2010 ; Title/Abstract Full Text Show Details
Metabolism (2) Quantitative Results pX
Parameter
Value (qual)
Amount
Value (quant) 632
Unit nmol/min/mg protein
Action on Target Substrate
Target
Tissue/Organ
Aldose reductase:Wild
Cell
Cell fraction
Substrate /Carried Molecule
Dose
Reference (expand all/collapse all) Patent: WO2017/79402 A...
Title/Abstract Full Text Show Details
BEIJING NORMAL UNIVERSITY HONG KONG BAPTIST UNIVERSITY UNITED INTERNATIONAL COLLEGE; CHUNG, Stephen; ZHANG, Shiqing
Patent: WO2017/79402 A1, 2017 ; Title/Abstract Full Text Show Details
Amount
4645
nmol/min/mg protein
Substrate
Aldo-keto reductase family 1 member B10:Wild
Patent: WO2017/79402 A...
Title/Abstract Full Text Show Details
BEIJING NORMAL UNIVERSITY HONG KONG BAPTIST UNIVERSITY UNITED INTERNATIONAL COLLEGE; CHUNG, Stephen; ZHANG, Shiqing
Patent: WO2017/79402 A1, 2017 ; Title/Abstract Full Text Show Details
Toxicity/Safety Pharmacology (1) Qualitative Information 1 of 1
Identification
Effect
Toxic
Biological material
Arthrobacter
Assay Description
Effect : growth Bioassay : control experiment: MSM with 30 mg/L yeast extract inoculation in mineral salt medium (MSM) with 0.54 mmol/L (NH4)2SO4 and 30 mg/L yeast extract
Results
growth inhibition
Citation
O'Loughlin, Edward J.; Sims, Gerald K.; Traina, Samuel J.
Biodegradation, 1999 , vol. 10, # 2 p. 93 - 104 Title/Abstract Full Text View citing articles Show Details
Physical Data Spectra Other Data