Kainic acid

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Names

[ CAS No. ]:
487-79-6

[ Name ]:
Kainic acid

[Synonym ]:
KAINATE
helminal
kainic acid
Kainic
digenin
Dihydroergocristine mesylate
(3S,4S)-3-(Carboxymethyl)-4-isopropenyl-L-proline
digenicacid
(−)-Kainic Acid
L-Proline, 3-(carboxymethyl)-4-(1-methylethenyl)-, (3S,4S)-

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
439.9±45.0 °C at 760 mmHg

[ Melting Point ]:
253-254ºC

[ Molecular Formula ]:
C10H15NO4

[ Molecular Weight ]:
213.230

[ Flash Point ]:
219.8±28.7 °C

[ Exact Mass ]:
213.100113

[ PSA ]:
86.63000

[ LogP ]:
0.50

[ Vapour Pressure ]:
0.0±2.3 mmHg at 25°C

[ Index of Refraction ]:
1.509

[ Storage condition ]:
2-8℃

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UX9665250
CHEMICAL NAME :
3-Pyrrolidineacetic acid, 2-carboxy-4-isopropenyl-
CAS REGISTRY NUMBER :
487-79-6
BEILSTEIN REFERENCE NO. :
0086660
LAST UPDATED :
199709
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C10-H15-N-O4
MOLECULAR WEIGHT :
213.26

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
32 mg/kg
TOXIC EFFECTS :
Brain and Coverings - other degenerative changes Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
3 mg/kg
SEX/DURATION :
female 14 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain) Reproductive - Effects on Newborn - behavioral
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
3 mg/kg
SEX/DURATION :
female 17-18 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain) Reproductive - Effects on Newborn - behavioral
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
3 mg/kg
SEX/DURATION :
female 19 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)

MUTATION DATA

TEST SYSTEM :
Rodent - mouse
DOSE/DURATION :
12 mg/kg
REFERENCE :
FOBGA8 Folia Biologica (Krakow). (Ars Polona, POB 1001, 00-068 Warsaw 1, Poland) V.1- 1953- Volume(issue)/page/year: 36,103,1988

Safety Information

[ Hazard Codes ]:
Xn

[ Risk Phrases ]:
R20/21/22

[ Safety Phrases ]:
22-24/25-36

[ RTECS ]:
UX9665250

Synthetic Route

Precursor & DownStream

Precursor

  • (2S,3S,4S)-4-isopropenyl-3-methoxycarbonylmethyl-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
  • ethyl 2-((2R,3S,4S)-2-cyano-4-(prop-1-en-2-yl)pyrrolidin-3-yl)acetate
  • di-tert-butyl (2S,3S,4S)-3-((tert-butoxycarbonyl)methyl)-4-((E)-1-(tributylstannyl)prop-1-en-2-yl)pyrrolidine-1,2-dicarboxylate
  • (2S,3S,4S)-methyl 3-(2-(dimethylamino)-2-oxoethyl)-4-(prop-1-en-2-yl)-1-(2,2,2-trichloroacetyl)pyrrolidine-2-carboxylate
  • (R)-benzyl (1-(benzyloxy)-3-oxopropan-2-yl)(3-methylbut-2-en-1-yl)carbamate

DownStream

  • kainic acid dimethyl ester hydrochloride
  • Kainic acid
  • Dihydrokainic acid

Related Compounds

  • Kainic acid
  • kainic acid
  • (-)-kainic acid
  • rac Kainic Acid
  • α-Allokainic acid
  • Kainic acid,sodium salt
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • Chitin synthase inhibitor 1
  • (2S)-4-[(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3,3-dimethylbutanamido]-2-hydroxybutanoic acid
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • rac-5-({[(1R,2R,4S)-4-amino-2-hydroxycyclopentyl]methyl}amino)-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione
  • 5-[1-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclopentaneamido]cyclohex-3-ene-1-carboxylic acid
  • 5-(1-Amino-2-methoxypropan-2-yl)-2-methylphenol
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol