NVP-BHG 712

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H20F3N7O
Molecular Weight	503.4785
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1N=CC2=C(NC3=CC(=CC=C3C)C(=O)NC4=CC(=CC=C4)C(F)(F)F)N=C(N=C12)C5=CN=CC=C5

InChI

InChIKey=ZCCPLJOKGAACRT-UHFFFAOYSA-N

InChI=1S/C26H20F3N7O/c1-15-8-9-16(25(37)32-19-7-3-6-18(12-19)26(27,28)29)11-21(15)33-23-20-14-31-36(2)24(20)35-22(34-23)17-5-4-10-30-13-17/h3-14H,1-2H3,(H,32,37)(H,33,34,35)

HIDE SMILES / InChI

Molecular Formula	C26H20F3N7O
Molecular Weight	503.4785
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Ephrin type-B receptor 4 5 Target ID: P54760 Gene ID: 2050.0 Gene Symbol: EPHB4 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/20803239	Inhibitor 8297
RAF proto-oncogene serine/threonine-protein kinase 3 Target ID: P04049 Gene ID: 5894.0 Gene Symbol: RAF1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/20803239	Inhibitor 8297		395.0 nM [IC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:03:56 GMT 2023` Edited by `admin` on `Sat Dec 16 19:03:56 GMT 2023`
Record UNII	N86NEM4R7Q
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NVP-BHG 712

Code

English

4-Methyl-3-[[1-methyl-6-(3-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

Systematic Name

English

BHG-712

Code

English

Benzamide, 4-methyl-3-[[1-methyl-6-(3-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]-

Systematic Name

English

BHG712

Code

English

Code System Code Type Description

CAS

940310-85-0

Created by admin on Sat Dec 16 19:03:56 GMT 2023 , Edited by admin on Sat Dec 16 19:03:56 GMT 2023

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FDA UNII

N86NEM4R7Q

Created by admin on Sat Dec 16 19:03:56 GMT 2023 , Edited by admin on Sat Dec 16 19:03:56 GMT 2023

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EPA CompTox

DTXSID90587779

Created by admin on Sat Dec 16 19:03:56 GMT 2023 , Edited by admin on Sat Dec 16 19:03:56 GMT 2023

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PUBCHEM

16747388

Created by admin on Sat Dec 16 19:03:56 GMT 2023 , Edited by admin on Sat Dec 16 19:03:56 GMT 2023

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