4-(2-(Pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-ol

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H16N4O
Molecular Weight	328.3672
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(2-(Pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-ol

Structure Search

SMILES

OC1=CC2=C(C=C1)C(=CC=N2)C3=C4CCCN4N=C3C5=CC=CC=N5

InChI

InChIKey=ZDNICFYNWASODE-UHFFFAOYSA-N

InChI=1S/C20H16N4O/c25-13-6-7-14-15(8-10-22-17(14)12-13)19-18-5-3-11-24(18)23-20(19)16-4-1-2-9-21-16/h1-2,4,6-10,12,25H,3,5,11H2

HIDE SMILES / InChI

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/18314943

TGF-B-recpotor inhibitor (dihydropyrrolopyrazole, 13) is one of the series of optimized, bioavailable dihydropyrrolopyrazole TGF-beta receptor type I inhibitors synthesized at Ely Lilly and is an investigational antitumor agent.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
TGF-beta receptor type-1 8 Target ID: P36897 Gene ID: 7046.0 Gene Symbol: TGFBR1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/18314943	Inhibitor 8297		160.0 nM [IC50]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2578

PubMed

Title	Date	PubMed

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Antiproliferative activity against mouse NIH3T3 cells by [3H]thymidine assay of TGF-B-recpotor inhibitor (compound 13) had IC50 of 420±410 nM. EC50 of 200±73 nM value was obtained from luciferase reporter assay in mink mink lung epithelial Mv1Lu p3TP-Lux stable transfectants.

Name

Type

Language

4-(2-(Pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-ol

Systematic Name

English

7-Quinolinol, 4-[5,6-dihydro-2-(2-pyridinyl)-4H-pyrrolo[1,2-b]pyrazol-3-yl]-

Systematic Name

English

Code System Code Type Description

CAS

476474-11-0

Created by admin on Sat Dec 16 19:22:45 GMT 2023 , Edited by admin on Sat Dec 16 19:22:45 GMT 2023

PRIMARY

PUBCHEM

135506615

Created by admin on Sat Dec 16 19:22:45 GMT 2023 , Edited by admin on Sat Dec 16 19:22:45 GMT 2023

PRIMARY

FDA UNII

MT5X3CS22S

Created by admin on Sat Dec 16 19:22:45 GMT 2023 , Edited by admin on Sat Dec 16 19:22:45 GMT 2023

PRIMARY

EPA CompTox

DTXSID20433199

Created by admin on Sat Dec 16 19:22:45 GMT 2023 , Edited by admin on Sat Dec 16 19:22:45 GMT 2023

PRIMARY

PRODRUG (METABOLITE ACTIVE)


					87VER89275

BR-007

SUBSTANCE RECORD


					MT5X3CS22S

4-(2-(Pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-ol

Details

SMILES

InChI

DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/18314943

Originator

Approval Year

Targets

Conditions

PubMed

Sample Use Guides

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/18314943