 Home > Encyclopedia > 4(5H)-Thiazolone, 2-amino-5-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-, (5Z)-, methanesulfonate (1:1)

4(5H)-Thiazolone, 2-amino-5-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-, (5Z)-, methanesulfonate (1:1)

4(5H)-Thiazolone, 2-amino-5-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-, (5Z)-, methanesulfonate (1:1) structure

CAS No:
139340-56-0
Formula:
C18H24N2O2S.CH4O3S
Chemical Name:
4(5H)-Thiazolone, 2-amino-5-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-, (5Z)-, methanesulfonate (1:1)
Synonyms:
4(5H)-Thiazolone,2-amino-5-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-,(5Z)-,methanesulfonate (1:1);4(5H)-Thiazolone,2-amino-5-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-,(Z)-,monomethanesulfonate (salt);4(5H)-Thiazolone,2-amino-5-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-,(5Z)-,monomethanesulfonate (salt);CI 1004;Darbufelone mesylate

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Description

Darbufelone mesylate is a dual inhibitor of cellular PGF2α and LTB4 production. Darbufelone potently inhibits PGHS-2 (IC50 = 0.19 μM) but is much less potent with PGHS-1 (IC50= 20 μM).

4(5H)-Thiazolone, 2-amino-5-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-, (5Z)-, methanesulfonate (1:1) Basic Attributes

Molecular Weight：

428.57

Exact Mass：

428.14400

UNII：

5I2Y40C5PX

DSSTox ID：

DTXSID0047246

Characteristics

PSA：

164

XLogP3：

5.13920

Boiling Point：

448.6ºC at 760mmHg

Flash Point：

225.1ºC

Vapor Pressure：

1.16E-08mmHg at 25°C

Drug Information

MeSH Entry Terms：

5-((3,5--bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-2-imino-4-thiazolidinone methanesulfonate

4(5H)-Thiazolone, 2-amino-5-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-, (5Z)-, methanesulfonate (1:1) Use and Manufacturing

Anti-inflammatory; antiarthritic (dual cyclooxygenase and 5-lipoxygenase inhibitor).

Computed Properties

Molecular Weight:428.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:428.14396435
Monoisotopic Mass:428.14396435
Topological Polar Surface Area:164
Heavy Atom Count:28
Complexity:609
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 4(5H)-Thiazolone, 2-amino-5-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-, (5Z)-, methanesulfonate (1:1)

Description
Basic Attributes
Characteristics
Drug Information
Use and Manufacturing
Computed Properties

4(5H)-Thiazolone, 2-amino-5-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-, (5Z)-, methanesulfonate (1:1)

SDS

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