3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-(2-(bis(4-(trifluoromethyl)phenyl)methoxy)ethyl)-, hydrochloride

用途

CI-966 is a potent, selective inhibitor of the GABA transporter GAT-1 with IC50 of 0.26 and 1.2 uM for human and rat GAT-1, respectively.

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名称

[ CAS 号 ]:
110283-66-4

[ 中文名 ]:
1-[2-[双[4-(三氟甲基)苯基]甲氧基]乙基]-1,2,5,6-四氢吡啶-3-羧酸盐酸盐

[ 英文名 ]:
CI 966 hydrochloride

[英文别名 ]:

3-Pyridinecarboxylic acid
Nicotinimidamide
3-PYRDINECARBOXIMIDAMIDE
3-carbamidinopyridine
Nicotinamidin
3-Amidinopyridine
pyridine-3-carboximidamide

物理化学性质

[ 沸点 ]:
514.1ºC at 760mmHg

[ 分子式 ]:
C₂₃H₂₂ClF₆NO₃

[ 分子量 ]:
509.86900

[ 闪点 ]:
264.7ºC

[ 精确质量 ]:
509.11900

[ PSA ]:
49.77000

[ LogP ]:
6.28680

[ 外观性状 ]:
固体

[ 蒸汽压 ]:
2.16E-11mmHg at 25°C

[ 储存条件 ]:
2-8°C，密封，干燥

毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: US5908290

CHEMICAL NAME :: 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-(2-(bis(4-(trifluoromethyl)pheny l)methoxy) ethyl)-, hydrochloride

CAS REGISTRY NUMBER :: 110283-66-4

LAST UPDATED :: 199403

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C23-H21-F6-N-O3.Cl-H

MOLECULAR WEIGHT :: 509.91

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 894 mg/kg

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - lacrimation Behavioral - coma Gastrointestinal - hypermotility, diarrhea

REFERENCE :: DDREDK Drug Development Research. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1981- Volume(issue)/page/year: 28,65,1993

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 703 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Gastrointestinal - hypermotility, diarrhea Kidney, Ureter, Bladder - other changes

REFERENCE :: DDREDK Drug Development Research. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1981- Volume(issue)/page/year: 28,65,1993 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 14 gm/kg/4W-C

TOXIC EFFECTS :: Behavioral - food intake (animal) Endocrine - hyperglycemia Related to Chronic Data - death

REFERENCE :: DDREDK Drug Development Research. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1981- Volume(issue)/page/year: 28,65,1993

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 420 mg/kg/4W-I

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - ataxia

REFERENCE :: DDREDK Drug Development Research. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1981- Volume(issue)/page/year: 28,65,1993

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安全信息

[ 危害码 (欧洲) ]:
Xi