BENTAMAPIMOD, (S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H23N5O2S
Molecular Weight	457.547
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

N#C[C@@H](C1=NC2=C(S1)C=CC=C2)C3=CC=NC(OCC4=CC=C(CN5CCOCC5)C=C4)=N3

InChI

InChIKey=XCPPIJCBCWUBNT-HXUWFJFHSA-N

InChI=1S/C25H23N5O2S/c26-15-20(24-28-22-3-1-2-4-23(22)33-24)21-9-10-27-25(29-21)32-17-19-7-5-18(6-8-19)16-30-11-13-31-14-12-30/h1-10,20H,11-14,16-17H2/t20-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H23N5O2S
Molecular Weight	457.547
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: http://adisinsight.springer.com/drugs/800019136

(S)-bentamapimod is the enantiomer of Bentamapimod (AS-602801 or PGL-5), a JNK mitogen-activated protein kinase inhibitor. No data regarding stereospecificity of the pharmacological activity of bentamapimod enantiomers available.

Originator

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2578

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:22:17 GMT 2023` Edited by `admin` on `Fri Dec 15 16:22:17 GMT 2023`
Record UNII	9456A99OKO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENTAMAPIMOD, (S)-

Common Name

English

2-BENZOTHIAZOLEACETONITRILE, .ALPHA.-(2-((4-(4-MORPHOLINYLMETHYL)PHENYL)METHOXY)-4-PYRIMIDINYL), (S)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

76969933

Created by admin on Fri Dec 15 16:22:17 GMT 2023 , Edited by admin on Fri Dec 15 16:22:17 GMT 2023

PRIMARY

FDA UNII

9456A99OKO