GSK-2239633

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NCATS

Investigational

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H25ClN4O5S2
Molecular Weight	549.062
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of GSK-2239633

Structure Search

SMILES

COC1=CC=CC2=C1C(NS(=O)(=O)C3=CC=C(Cl)S3)=NN2CC4=CC(CNC(=O)C(C)(C)O)=CC=C4

InChI

InChIKey=YTEVTHHGQMUPHC-UHFFFAOYSA-N

InChI=1S/C24H25ClN4O5S2/c1-24(2,31)23(30)26-13-15-6-4-7-16(12-15)14-29-17-8-5-9-18(34-3)21(17)22(27-29)28-36(32,33)20-11-10-19(25)35-20/h4-12,31H,13-14H2,1-3H3,(H,26,30)(H,27,28)

HIDE SMILES / InChI

Molecular Formula	C24H25ClN4O5S2
Molecular Weight	549.062
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:07:19 GMT 2023` Edited by `admin` on `Sat Dec 16 12:07:19 GMT 2023`
Record UNII	07ODS257BP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GSK-2239633

Common Name

English

PROPANAMIDE, N-((3-((3-(((5-CHLORO-2-THIENYL)SULFONYL)AMINO)-4-METHOXY-1H-INDAZOL-1-YL)METHYL)PHENYL)METHYL)-2-HYDROXY-2-METHYL-

Systematic Name

English

GSK 2239633A

Code

English

GSK2239633

Code

English

N-((3-((3-((5-CHLORO-2-THIENYL)SULFONYLAMINO)-4-METHOXY-INDAZOL-1-YL)METHYL)PHENYL)METHYL)-2-HYDROXY-2-METHYL-PROPANAMIDE

Systematic Name

English

GSK-2239633A

Common Name

English

Code System Code Type Description

SMS_ID

300000041341

Created by admin on Sat Dec 16 12:07:19 GMT 2023 , Edited by admin on Sat Dec 16 12:07:19 GMT 2023

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MANUFACTURER PRODUCT INFORMATION

GSK-2239633A

Created by admin on Sat Dec 16 12:07:19 GMT 2023 , Edited by admin on Sat Dec 16 12:07:19 GMT 2023

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Name: GSK 2239633A; Formula: C24H25ClN4O5S2; MW: 549.06; CAS No.: 1240516-71-5

PUBCHEM

46861584

Created by admin on Sat Dec 16 12:07:19 GMT 2023 , Edited by admin on Sat Dec 16 12:07:19 GMT 2023

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CAS

1240516-71-5

Created by admin on Sat Dec 16 12:07:19 GMT 2023 , Edited by admin on Sat Dec 16 12:07:19 GMT 2023

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EPA CompTox

DTXSID401031224

Created by admin on Sat Dec 16 12:07:19 GMT 2023 , Edited by admin on Sat Dec 16 12:07:19 GMT 2023

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FDA UNII

07ODS257BP

Created by admin on Sat Dec 16 12:07:19 GMT 2023 , Edited by admin on Sat Dec 16 12:07:19 GMT 2023

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Related Record Type Details


					L2FP9BPP3S

C-C CHEMOKINE RECEPTOR TYPE 4

TARGET -> INHIBITOR

Amount:

Related Record Type Details


					07ODS257BP

ACTIVE MOIETY

Comments:

The most potent compound with high bioavailability in both rat and dog was the tertiary-hydroxyl analogue 6 (GSK2239633A). This compound was selective against other chemokine receptors and a panel of 7TM receptors, ion channels, enzymes, transporters, and nuclear receptors. Compound 6 had high permeability in MDCK cells and was highly bound to plasma proteins. It had low solubility in all physiologically relevant media, with the solubility increasing dramatically at pH 10. This suggested that 6 might have low oral bioavailability at higher doses. However, the oral exposure of 6 in the rat, following administration of a suspension of wet bead milled material, increased with increasing dose up to 30 mg/kg. Compound 6 was selected for further development, and the clinical studies will be reported shortly.

Amount: