METHYL MERCAPTAN

Details

Stereochemistry	ACHIRAL
Molecular Formula	CH4S
Molecular Weight	48.107
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

CS

InChI

InChIKey=LSDPWZHWYPCBBB-UHFFFAOYSA-N

InChI=1S/CH4S/c1-2/h2H,1H3

HIDE SMILES / InChI

Molecular Formula	CH4S
Molecular Weight	48.107
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

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

Description

SC 26196 is a selective delta6 fatty acid desaturase inhibitor with anti-inflammatory and anti-cancer properties.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Potency
Sphingosine 1-phosphate receptor Edg-1 16	Agonist 2,752	5.0 nM [EC50]
Sphingosine 1-phosphate receptor Edg-6 13	Agonist 2,752	58.0 nM [EC50]
Sphingosine 1-phosphate receptor Edg-8 13	Agonist 2,752	17.0 nM [EC50]
Prostaglandin G/H synthase 2 51	Inhibitor 8,504	0.005 µM [IC50]
Transcription factor AP-1 4	Inhibitor 8,504	25.0 µM [IC50]
Fatty acid desaturase 2 9	Inhibitor 8,504	0.2 µM [IC50]
Leukotriene A-4 hydrolase 6	Inhibitor 8,504	2.5 nM [IC50]
Prostaglandin G/H synthase 2 51	Inhibitor 8,504	0.05 µM [IC50]

Conditions

Condition	Modality	Highest Phase	Product
Arthritis 87	Primary	Preclinical	Unknown
Multiple sclerosis 107	Primary	Preclinical	Unknown
Cerebral edema 7	Primary	Preclinical	Unknown
Cancer 609	Primary	Preclinical	Unknown
Inflammation 105	Primary	Preclinical	Unknown
Inflammation 105	Primary	Preclinical	Unknown
Cancer 609	Primary	Preclinical	Unknown
Inflammatory bowel disease 24	Primary	Preclinical	Unknown
Inflammatory diseases 15	Primary	Preclinical	Unknown
Cancer 609	Primary	Preclinical	Unknown

PubMed

Show entries

Title	Date	PubMed
Suicide inactivation of bacterial cystathionine gamma-synthase and methionine gamma-lyase during processing of L-propargylglycine.	1979 Oct 16	387077
Isolation and identification of metabolites of leukotriene A4 hydrolase inhibitor SC-57461 in rats.	1996 Oct	8894515
Synthesis and biological evaluation of the 1,5-diarylpyrazole class of cyclooxygenase-2 inhibitors: identification of 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benze nesulfonamide (SC-58635, celecoxib).	1997 Apr 25	9135032
Novel, selective delta6 or delta5 fatty acid desaturase inhibitors as antiinflammatory agents in mice.	1998 Oct	9765335
Discovery of CS-2100, a potent, orally active and S1P3-sparing S1P1 agonist.	2012 Feb 15	22264485

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Sample Use Guides

In Vivo Use Guide

0.1, 0.3, 1, or 3 mg/kg from day 0 to day 17, once daily

Route of Administration: Oral

In Vitro Use Guide

Unknown

Substance Class	Chemical
Record UNII	2X8406WW9I
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

METHYL MERCAPTAN

Systematic Name

English

METHANETHIOL

Preferred Name

English

METHYL MERCAPTAN [HSDB]

Common Name

English

METHYLMERCAPTAN

Systematic Name

English

METHANETHIOL [MI]

Common Name

English

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Classification Tree

Code System

Code

FUNCTIONAL CLASSIFICATION

JECFA EVALUATION

METHYL MERCAPTAN

Subpart F--Flavoring Agents and Related Substances

CFR

21 CFR 172.515

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Code System

Code

Type

Description

MESH

C005231

PRIMARY

MERCK INDEX

m7298

PRIMARY

Merck Index

JECFA MONOGRAPH

123

PRIMARY

CHEBI

16007

PRIMARY

WIKIPEDIA

METHANETHIOL

PRIMARY

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Related Record

Type

Details


					LB29JWW8H7

SODIUM METHANETHIOLATE

SALT/SOLVATE -> PARENT

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SMILES

InChI

Originator

Approval Year

Targets

Conditions

PubMed

Patents

Sample Use Guides