MK886 SODIUM

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H33ClNO2S.Na
Molecular Weight	494.064
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CC(C)C1=CC=C2N(CC3=CC=C(Cl)C=C3)C(CC(C)(C)C([O-])=O)=C(SC(C)(C)C)C2=C1

InChI

InChIKey=CBNCIYNCWVGEKJ-UHFFFAOYSA-M

InChI=1S/C27H34ClNO2S.Na/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18;/h8-14,17H,15-16H2,1-7H3,(H,30,31);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

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

Molecular Formula	C27H33ClNO2S
Molecular Weight	471.074
Charge	-1
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
Arachidonate 5-lipoxygenase-activating protein 3 Target ID: P20292 Gene ID: 241.0 Gene Symbol: ALOX5AP Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/2300173	Inhibitor 8297
Arachidonate 5-lipoxygenase-activating protein 3 Target ID: P20291 Gene ID: 29624.0 Gene Symbol: Alox5ap Target Organism: Rattus norvegicus (Rat) Sources: https://www.ncbi.nlm.nih.gov/pubmed/2300173	Inhibitor 8297

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:05:34 GMT 2023` Edited by `admin` on `Sat Dec 16 09:05:34 GMT 2023`
Record UNII	PNR27O326B
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

MK886 SODIUM

Common Name

English

1H-INDOLE-2-PROPANOIC ACID, 1-((4-CHLOROPHENYL)METHYL)-3-((1,1-DIMETHYLETHYL)THIO)-.ALPHA.,.ALPHA.-DIMETHYL-5-(1-METHYLETHYL)-, SODIUM SALT

Systematic Name

English

MK-886 SODIUM SALT

Code

English

1H-INDOLE-2-PROPANOIC ACID, 1-((4-CHLOROPHENYL)METHYL)-3-((1,1-DIMETHYLETHYL)THIO)-.ALPHA.,.ALPHA.-DIMETHYL-5-(1-METHYLETHYL)-, SODIUM SALT (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

PNR27O326B

Created by admin on Sat Dec 16 09:05:34 GMT 2023 , Edited by admin on Sat Dec 16 09:05:34 GMT 2023

PRIMARY

EPA CompTox

DTXSID4040551

Created by admin on Sat Dec 16 09:05:34 GMT 2023 , Edited by admin on Sat Dec 16 09:05:34 GMT 2023

PRIMARY

PUBCHEM

4519262

Created by admin on Sat Dec 16 09:05:34 GMT 2023 , Edited by admin on Sat Dec 16 09:05:34 GMT 2023

PRIMARY

CAS

118427-55-7

Created by admin on Sat Dec 16 09:05:34 GMT 2023 , Edited by admin on Sat Dec 16 09:05:34 GMT 2023

PRIMARY

Related Record Type Details


					080626SQ8C

MK-886

PARENT -> SALT/SOLVATE