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LY-364947

LY-364947 structure

CAS No:
396129-53-6
Formula:
C17H12N4
Chemical Name:
LY-364947
Synonyms:
LY-364947;[3-(Pyridin-2-yl)-4-(4-quinonyl)]-1H-pyrazole;4-[3-(2-Pyridinyl)-1H-pyrazol-4-yl]-quinoline;LY364947(HTS 466284);E 616451;HTS 466284;2-[4-(Quinolin-4-yl)-1H-pyrazol-3-yl]pyridine, 3-(Pyridin-2-yl)-4-(quinolin-4-yl)-1H-pyrazole;Quinoline, 4-[3-(2-pyridinyl)-1H-pyrazol-4-yl]-
Categories:
Biochemical Engineering > Inhibitors

Description

LY 364947 is a member of the class of pyrazoles carrying pyridin-2-yl and quinolin-4-yl substituents at positions 3 and 4 respectively. It has a role as a TGFbeta receptor antagonist. It is a member of pyrazoles, a member of pyridines and a member of quinolines.

LY-364947 Basic Attributes

Molecular Weight：

272.31

Exact Mass：

272.106

DSSTox ID：

DTXSID90332266

HScode：

2933990090

Characteristics

PSA：

54.5

XLogP3：

2.7

Appearance：

white to beige

Density：

1.283±0.06 g/cm3(Predicted)

Melting Point：

>230℃ (dec.)

Boiling Point：

490.8ºC at 760 mmHg

Flash Point：

268.7ºC

Refractive Index：

1.7

Water Solubility：

DMSO: soluble 2mg/mL, clear

Storage Conditions：

Store at RT

Safety Information

Transport codes：

UN 2811 6.1/PG 3

wgk germany：

hazard class code：

25-36/37/38-50/53

safety instructions：

26-45-60-61

Marks：

T,N

Precautionary statement(s)：

P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (95%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

Ly-364947

Computed Properties

Molecular Weight:272.30
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:272.106196400
Monoisotopic Mass:272.106196400
Topological Polar Surface Area:54.5
Heavy Atom Count:21
Complexity:348
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes