3-[2-(azepan-1-yl)ethoxy]-1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine,hydrochloride

Names

[ CAS No. ]:
34580-69-3

[ Name ]:
3-[2-(azepan-1-yl)ethoxy]-1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine,hydrochloride

[Synonym ]:
C-Pyrazin-2-yl-methylamine
ITF 1023

Chemical & Physical Properties

[ Boiling Point ]:
467.7ºC at 760 mmHg

[ Molecular Formula ]:
C₂₁H₂₄ClF₃N₄O

[ Molecular Weight ]:
440.89000

[ Flash Point ]:
236.6ºC

[ Exact Mass ]:
440.15900

[ PSA ]:
43.18000

[ LogP ]:
5.43400

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UR0710800

CHEMICAL NAME :: 1H-Pyrazolo(3,4-b)pyridine, 3-(2-(hexahydro-1H-azepin-1-yl)ethoxy)-1-(3-(trifluor omethyl) phenyl)-, monohydrochloride

CAS REGISTRY NUMBER :: 34580-69-3

LAST UPDATED :: 199203

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C21-H23-F3-N4-O.Cl-H

MOLECULAR WEIGHT :: 440.94

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 :: >1 gm/kg

TOXIC EFFECTS :: Brain and Coverings - recordings from specific areas of CNS Behavioral - tremor Behavioral - muscle contraction or spasticity

REFERENCE :: BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 111,167,1972

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >1 gm/kg

TOXIC EFFECTS :: Brain and Coverings - recordings from specific areas of CNS Behavioral - tremor Behavioral - muscle contraction or spasticity

REFERENCE :: BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 111,167,1972

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >1 gm/kg

TOXIC EFFECTS :: Brain and Coverings - recordings from specific areas of CNS Behavioral - tremor Behavioral - muscle contraction or spasticity

REFERENCE :: BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 111,167,1972

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >1 gm/kg

TOXIC EFFECTS :: Brain and Coverings - recordings from specific areas of CNS Behavioral - tremor Behavioral - muscle contraction or spasticity

REFERENCE :: BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 111,167,1972

Related Compounds

Methyl 2-(2-(benzo[d][1,3]dioxol-5-yl)acetamido)benzo[d]thiazole-6-carboxylate
7-(4-fluorophenyl)-2-morpholino-5-(2-oxo-2-phenylethyl)thiazolo[4,5-d]pyridazin-4(5H)-one
2-(7-(4-fluorophenyl)-2-morpholino-4-oxothiazolo[4,5-d]pyridazin-5(4H)-yl)-N-isopropylacetamide
5-(2-chloro-6-fluorobenzyl)-7-(4-fluorophenyl)-2-morpholinothiazolo[4,5-d]pyridazin-4(5H)-one
7-(furan-2-yl)-2-(piperidin-1-yl)-5-propylthiazolo[4,5-d]pyridazin-4(5H)-one
N-(3-acetamidophenyl)-2-(7-(furan-2-yl)-4-oxo-2-(piperidin-1-yl)thiazolo[4,5-d]pyridazin-5(4H)-yl)acetamide
7-(furan-2-yl)-5-(2-methylbenzyl)-2-(piperidin-1-yl)thiazolo[4,5-d]pyridazin-4(5H)-one
benzyl 2-(7-(furan-2-yl)-4-oxo-2-(piperidin-1-yl)thiazolo[4,5-d]pyridazin-5(4H)-yl)acetate
5-(2-(3,4-dimethoxyphenyl)-2-oxoethyl)-7-(furan-2-yl)-2-(piperidin-1-yl)thiazolo[4,5-d]pyridazin-4(5H)-one
7-(furan-2-yl)-5-(2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl)-2-(piperidin-1-yl)thiazolo[4,5-d]pyridazin-4(5H)-one

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