Reaxys
PubChem
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Bioactivities (28)
SigmaAldrich
Reactions (117)
Substances (1)
Structure
Targets (4)
Citations (175)
N° of preparations All Preps | All Reactions
Structure/Compound Data Chemical Name: 2,2-Dichloropropionic acid Reaxys Registry Number: 1750149
CAS Registry Number: 75-99-0 Type of Substance: acyclic Molecular Formula: C3H4Cl2O2
Linear Structure Formula: CH3Cl2CCOOH Molecular Weight: 142.97 InChI Key: NDUPDOJHUQKPAG-UHFFFAOYSA-N
1
34 prep out of 117 reactions.
Available Data
Target
N° of ref.
Druglikeness
Bioactivity
Identification Physical Data (31) Spectra (7) Other Data (15)
Show Targets
175
Synthesize | Hide Details Find similar Chemical Names and Synonyms 2,2-Dichloropropionic acid Druglikeness Bioactivity In vitro: Efficacy (13) Quantitative Results pX
Parameter
Value (qual)
Value (quant)
Unit
Activity
=
-30
%
Action on Target
Target Phenylalanine ammonia-lyase [Setaria viridis]:Wild
Tissue/Organ
Cell
Bioassay
Dose
Effect
Reference (expand all/collapse all) Phytochemistry, 1974 , ...
Title/Abstract Full Text Show Details
N. O. JANGAARD
Phytochemistry, 1974 , vol. 13, # 9 p. 1769 - 1775 Title/Abstract Full Text Show Details
Activity
=
-49
%
Phenylalanine ammonia-lyase [Amaranthus retroflexus]:Wild
Phytochemistry, 1974 , ...
Title/Abstract Full Text Show Details
N. O. JANGAARD
Phytochemistry, 1974 , vol. 13, # 9 p. 1769 - 1775 Title/Abstract Full Text Show Details
Qualitative Information 1 of 11
2 of 11
3 of 11
Results
tolerant before emergence and highly phytotoxic after emergence herbicide (Melissa officinalis L., 8.5-12.8 kg/ha)
Citation
Pank, F.; Eichholz, Erika; Ennet, D.; Zygmunt, Barbara
Pharmazie, 1987 , vol. 42, # 3 p. 191 - 195 Title/Abstract Full Text Show Details
Results
Highly toxic after the emergence for Achillea millefolium L. in established plants, 8.5 kg/ha.
Citation
Pank, F.; Zygmunt, B.; Hauschild, J.
Pharmazie, 1983 , vol. 38, # 11 p. 755 - 758 Title/Abstract Full Text Show Details
Effect
Toxic
Assay Description
4 of 11
5 of 11
6 of 11
Target : Pseudosuccinea columella, snail Bioassay : in vivo; culture containers; artificial spring water; 10 snails/conc.; eggs laid and hatceh in title comp. solution; hatched snails left to mature and develop in exposure solution; deshelled; homogen.; free amino acids anal.
Results
dose-dependent increase in conc. of alanine and glycine at 1.0-10.0 mg/l and in serine and threonine conc. at dose of 10 mg/l; no effect on glutamic acid level
Citation
Tate; Jackson; Christian
Bulletin of Environmental Contamination and Toxicology, 2000 , vol. 64, # 2 p. 258 - 262 Title/Abstract Full Text View citing articles Show Details
Target
enzyme:Wild
Assay Description
Effect : |enzyme; examination of Bioassay : one unit of D-2-chloropropionic acid dehalogenase activity (standard): amount of enzyme that produced 1 μmol Cl(-) per minute from D,L-2-CPA soluble and immobilised enzyme activity; immobilisation method: stable diazonium salt-controlled pore glass (SDZS/CPG; covalent linkage); ion chromatograph (IC) assay; 30 deg C; pH 7.5; activity towards the title comp.
Results
activity of soluble enzyme: 7 percent, immobilised enzyme: 0 percent (relative activity, 100 percent - activity with D,L-2-chloropropionic acid: 5.3 U/mg protein for soluble enzyme, 3.1 U/mg protein for immobilized enzyme)
Citation
Parker, Karen; Colby, John
Biodegradation, 1995 , vol. 6, # 3 p. 191 - 202 Title/Abstract Full Text View citing articles Show Details
Results
high phytotoxicity for Calendula officinalis L., 8.5 kg/ha prior to the emergence
Citation
Pank, F.; Ennet, D.
Pharmazie, 1988 , vol. 43, # 7 p. 503 - 506 Title/Abstract Full Text Show Details
Assay Description
Effect : |biotransformation Target : glutathione transferase Zeta, purified
Bioassay : title comp. incubated with/without enzyme, with/without glutathione in phosphate buffer, pH 7.4, 37 deg C, 20 min; analysis by HPLC
7 of 11
8 of 11
9 of 11
10 of 11
11 of 11
Results
enzyme activity: 244 nmol/min (mg protein)
Citation
Tong, Zeen; Board, Philip G.; Anders
Chemical Research in Toxicology, 1998 , vol. 11, # 11 p. 1332 - 1338 Title/Abstract Full Text View citing articles Show Details
Results
no effect on carboxylic acid-dependent PPi-ATP exchange catalysed by partially purified enzyme from Pinus radiata
Citation
Orchard; Anderson
Phytochemistry, 1996 , vol. 41, # 6 p. 1465 - 1472 Title/Abstract Full Text View citing articles Show Details
Results
high phytotoxicity against Papaver somniferum L., application before and after emergence
Citation
Pank, F.; Buhr, Liselotte; Boehm, H.
Pharmazie, 1987 , vol. 42, # 7 p. 467 - 470 Title/Abstract Full Text Show Details
Results
low toxic for Carum carvi L. in the 1st year of cultivation, 6.0 kg/ha after coming up of the caraway
Citation
Pank, F.; Marlow, H.; Eichholz, E.; Ennet, D.; Zygmunt, B.
Pharmazie, 1984 , vol. 39, # 12 p. 838 - 842 Title/Abstract Full Text Show Details
Results
herbicidal activity on Thyme
Citation
Pank, F.; Eichholz, Erika; Ennet, D.
Pharmazie, 1982 , vol. 37, # 11 p. 795 - 797 Title/Abstract Full Text Show Details
Target
ABC family transporter:Wild
Substance action on target
Inhibitor
Assay Description
Inhibitory activity of the compound against ABC transporter (ATP-binding cassette) over expressed in Arabidopsis plant
Citation
THOMAS Collin E.; WINDSOR J. Brian; ROUX Stan J.; LLOYD Alan M.
Patent: WO2000/46347 A1, 2000 ; Title/Abstract Full Text Show Details
In vivo: Animal Model (1) Qualitative Information 1 of 1
Target
enzyme:Wild
Assay Description
Effect : |enzyme; inhib. of Bioassay : inactivation of GSTZ (glutathione transferase zeta) in vivo in rats by title comp. studied; control: rats received 0.9 percent NaCl rats 200225 g wt. (n=3) received title comp.; after 12 h rats killed; liver homogenized in buffer; cytosolic fraction prepd.; dialyzed overnight; assayed for GSTZ activity
Results
treatment of rats with title comp. reduced GSTZ activity after 12 h to 78 percent of control (diagram)
Citation
Anderson, Wayne B.; Board, Philip G.; Gargano, Bryan; Anders
Chemical Research in Toxicology, 1999 , vol. 12, # 12 p. 1144 - 1149
Title/Abstract Full Text View citing articles Show Details
Metabolism (2) Quantitative Results pX
Parameter
Value (qual)
Value (quant)
Unit
Action on Target
Target
Tissue/Organ
Cell
Cell fraction
Substrate /Carried Molecule
Dose
t1/2 el
=
12
hour
Reference (expand all/collapse all) ...
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t1/2 el
=
3
day
...
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Toxicity/Safety Pharmacology (12) Quantitative Results pX
Parameter
Value (qual)
Value (quant)
Unit
Action on Target
Target
Tissue/Organ
Cell
Bioassay
Dose
Effect
Reference (expand all/collapse all)
3.13
LC50
105
ppm
...
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100
ppm
...
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5000
ppm
...
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5000
ppm
...
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5.66
g/kg
...
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3860
mg/kg
...
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9330
mg/kg
...
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4800
ppm
...
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3.16
LC50
Full Text Show Details
1.46
LC50
Full Text Show Details
1.46
LC50
Full Text Show Details
LD50
Full Text Show Details
LD50
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LD50
Full Text Show Details
1.47
LC50
Full Text Show Details
1.46
LC50
5000
ppm
...
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Activity
ND
Patent: US2008/108665 ...
Title/Abstract Full Text Show Details
Huang, Jim X.; Zhu, Yuanming; Rogers, Richard B.; Loso, Michael R.; Hill, Robert L.; Thomas, James D.; Meade, Thomas; Gifford, James M.; DeMark, Joseph J.; Nugent, Benjamin M.
Patent: US2008/108665 A1, 2008 ; Title/Abstract Full Text Show Details
%
10
%
Bulletin of Environmenta...
Title/Abstract Full Text Show Details
McCorkle; Chambers; Yarbrough
Bulletin of Environmental Contamination and Toxicology, 1977 , vol. 18, # 3 p. 267 - 270 Title/Abstract Full Text Show Details
LD50
5000
mg/kg
Gaines; Linder
Fundamental and Applied Toxicology, 1986 , vol. 7, # 2 p. 299 - 308 Title/Abstract Full Text Show Details
Identification Physical Data Spectra Other Data
Fundamental and Applied ...
Title/Abstract Full Text Show Details