NUPAFANT HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H32N4O3S.ClH
Molecular Weight	481.051
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CCOC[C@H](CC(C)C)N(C)S(=O)(=O)C1=CC=C(CN2C(C)=NC3=C2C=CN=C3)C=C1

InChI

InChIKey=ZWKDNGFLPQQUPZ-BDQAORGHSA-N

InChI=1S/C23H32N4O3S.ClH/c1-6-30-16-20(13-17(2)3)26(5)31(28,29)21-9-7-19(8-10-21)15-27-18(4)25-22-14-24-12-11-23(22)27;/h7-12,14,17,20H,6,13,15-16H2,1-5H3;1H/t20-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C23H32N4O3S
Molecular Weight	444.59
Charge	0
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Description
Sources: https://adisinsight.springer.com/drugs/800003680 | https://www.ncbi.nlm.nih.gov/pubmed/16921398

Nupafant (BB-960) is a potent platelet activating factor antagonist that is active both orally and intravenously. Nupafant was in phase I clinical trials in the UK for the treatment of ischemia-reperfusion injury, however this compound has since been suspended.

Originator

Approval Year

PubMed

Title	Date	PubMed
Nupafant, a PAF-antagonist prototype for suppression of ventricular fibrillation without liability for QT prolongation?	2006 Oct	16921398

Sample Use Guides

In Vitro Use Guide

Global (whole-heart) delivery of 10 uM nupafant, reduced the incidence of ischaemia-induced VF and widened QT interval without affecting coronary flow. Importantly, lower concentrations (0.1 and 1 uM) had no effect on VF, yet widened QT almost identically to 10 uM nupafant.

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:09:07 GMT 2023` Edited by `admin` on `Sat Dec 16 09:09:07 GMT 2023`
Record UNII	IX7N0W911G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NUPAFANT HYDROCHLORIDE

Common Name

English

BB-2113

Code

English

BENZENESULFONAMIDE, N-((1S)-1-(ETHOXYMETHYL)-3-METHYLBUTYL)-N-METHYL-4-((2-METHYL-1H-IMIDAZO(4,5-C)PYRIDIN-1-YL)METHYL)-, MONOHYDROCHLORIDE

Systematic Name

English

Code System Code Type Description

FDA UNII

IX7N0W911G

Created by admin on Sat Dec 16 09:09:07 GMT 2023 , Edited by admin on Sat Dec 16 09:09:07 GMT 2023

PRIMARY

CAS

144736-31-2

Created by admin on Sat Dec 16 09:09:07 GMT 2023 , Edited by admin on Sat Dec 16 09:09:07 GMT 2023

PRIMARY

PUBCHEM

73425483

Created by admin on Sat Dec 16 09:09:07 GMT 2023 , Edited by admin on Sat Dec 16 09:09:07 GMT 2023

PRIMARY

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					02NKI0ARRJ

NUPAFANT

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Amount:

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					02NKI0ARRJ

NUPAFANT

ACTIVE MOIETY

Details

SMILES

InChI

DescriptionSources: https://adisinsight.springer.com/drugs/800003680 | https://www.ncbi.nlm.nih.gov/pubmed/16921398

Originator

Approval Year

PubMed

Sample Use Guides

Description
Sources: https://adisinsight.springer.com/drugs/800003680 | https://www.ncbi.nlm.nih.gov/pubmed/16921398