Buy Darbufelone mesylate (BT-264453)

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Darbufelone mesylate

Catalog Number: BT-264453

CAS Number: 139340-56-0

Molecular Formula: C19H28N2O5S2

Molecular Weight: 428.6 g/mol

The product is for non-human research only. Not for therapeutic or veterinary use.

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Product Introduction

Description

Darbufelone, also known as CI-1004; PD-136095-0073, is COX-2 inhibitor potentially for the treatment of rheumatoid arthritis. Darbufelone also induces growth inhibition of lung cancer cells both in vitro and in vivo.

Properties

CAS Number

139340-56-0

Product Name

Darbufelone mesylate

IUPAC Name

(5Z)-2-amino-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one;methanesulfonic acid

Molecular Formula

C19H28N2O5S2

Molecular Weight

428.6 g/mol

InChI

InChI=1S/C18H24N2O2S.CH4O3S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)20-16(19)23-13;1-5(2,3)4/h7-9,21H,1-6H3,(H2,19,20,22);1H3,(H,2,3,4)/b13-9-;

InChI Key

BAZGFSKJAVQJJI-CHHCPSLASA-N

SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C2C(=O)N=C(S2)N.CS(=O)(=O)O

Solubility

Soluble in DMSO, not in water

Synonyms

5-((3,5--bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-2-imino-4-thiazolidinone methanesulfonate
CI 1004
CI-1004
darbufelone
darbufelone mesylate
PD0136095-73

Canonical SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C2C(=O)N=C(S2)N.CS(=O)(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C\2/C(=O)N=C(S2)N.CS(=O)(=O)O

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