2,2'-SULFONYL-BIS-(3,4,6-TRICHLOROPHENOL)

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H4Cl6O4S
Molecular Weight	456.941
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,2'-SULFONYL-BIS-(3,4,6-TRICHLOROPHENOL)

Structure Search

SMILES

OC1=C(Cl)C=C(Cl)C(Cl)=C1S(=O)(=O)C2=C(Cl)C(Cl)=CC(Cl)=C2O

InChI

InChIKey=AKUKHICVNCCQHN-UHFFFAOYSA-N

InChI=1S/C12H4Cl6O4S/c13-3-1-5(15)9(19)11(7(3)17)23(21,22)12-8(18)4(14)2-6(16)10(12)20/h1-2,19-20H

HIDE SMILES / InChI

Molecular Formula	C12H4Cl6O4S
Molecular Weight	456.941
Charge	0
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
MAP kinase p38 alpha 34 Target ID: CHEMBL260 Sources: https://www.ncbi.nlm.nih.gov/pubmed/17141198	Inhibitor 8504		0.13 µM [IC50]
MAP kinase p38 beta 11 Target ID: CHEMBL3961 Sources: https://www.ncbi.nlm.nih.gov/pubmed/17141198	Inhibitor 8504		0.55 µM [IC50]

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:46:55 GMT 2025` Edited by `admin` on `Mon Mar 31 21:46:55 GMT 2025`
Record UNII	71127S05IX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MT-4

Preferred Name

English

2,2'-SULFONYL-BIS-(3,4,6-TRICHLOROPHENOL)

Systematic Name

English

2,2'-DIHYDROXY-3,3',5,5',6,6'-HEXACHLORODIPHENYL SULFONE

Common Name

English

MT4

Code

English

P38 MAP KINASE INHIBITOR IV

Common Name

English

PHENOL, 3,4,6-TRICHLORO-2-((2,3,5-TRICHLORO-6-HYDROXYPHENYL)SULFONYL)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID601162887

Created by admin on Mon Mar 31 21:46:55 GMT 2025 , Edited by admin on Mon Mar 31 21:46:55 GMT 2025

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FDA UNII

71127S05IX

Created by admin on Mon Mar 31 21:46:55 GMT 2025 , Edited by admin on Mon Mar 31 21:46:55 GMT 2025

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CAS

1638-41-1

Created by admin on Mon Mar 31 21:46:55 GMT 2025 , Edited by admin on Mon Mar 31 21:46:55 GMT 2025

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PUBCHEM

3816490

Created by admin on Mon Mar 31 21:46:55 GMT 2025 , Edited by admin on Mon Mar 31 21:46:55 GMT 2025

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