CAS Number139226-28-1
Synonymscc-555; (Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-iminothiazolidin-4-one; Darbufelone [INN]; (5Z)-2-AMINO-5-[(4-HYDROXY-3,5-DITERT-BUTYL-PHENYL)METHYLIDENE]-1,3-THIAZOL-4-ONE; Darbufelone; (5Z)-2-Amino-5-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)benzylidene]-1,3-thiazol-4(5H)-one
Molecular FormulaC18H24O2N2S1
Molecular Weight332.47
Purity96+%
Density1.2±0.1 g/cm3
Boiling Point448.6ºC at 760mmHg
EINECS0
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 139226-28-1 |
| Catalog No. | 2A-0102453 |
| Chinese Name | (5Z)-2-氨基-5-[(4-羟基-3,5-二叔丁基苯基)亚甲基]-1,3-噻唑-4-酮 |
| Synonyms | cc-555; (Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-iminothiazolidin-4-one; Darbufelone [INN]; (5Z)-2-AMINO-5-[(4-HYDROXY-3,5-DITERT-BUTYL-PHENYL)METHYLIDENE]-1,3-THIAZOL-4-ONE; Darbufelone; (5Z)-2-Amino-5-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)benzylidene]-1,3-thiazol-4(5H)-one |
| Molecular Formula | C18H24O2N2S1 |
| Molecular Weight | 332.47 |
| Purity | 96+ |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 448.6ºC at 760mmHg |
| Storage Condition | -20°C |
| Application | Darbufelone is a dual inhibitor of cellular PGF2α and LTB4 production. Darbufelone potently inhibits PGHS-2 (IC50=0.19 μM) but is much less potent against PGHS-1 (IC50=20 μM). |
| EINECS | 0 |
| HTC | 2934100090 |
| UN(IATA) | 0 |
| MDL Number | MFCD25162811 |
| SMILES | CC(C)(C)c1cc(C=C2SC(=N)NC2=O)cc(C(C)(C)C)c1O |
| InChI | InChI=1S/C18H24N2O2S/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/h7-9,21H,1-6H3,(H2,19,20,22)/b13-9- |
| InChI Key | AKTXOQVMWSFEBQ-UHFFFAOYSA-N |
| MSDS | msds/102453_1_139226_28_1.pdf |
| Use of | Darbufelone 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). Properties Name (5Z)-2-amino-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one Synonym More Synonyms Darbufelone Biological Activity Description Darbufelone 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). Related Catalog Research Areas >> Endocrinology Signaling Pathways >> GPCR/G Protein >> Leukotriene Receptor Signaling Pathways >> GPCR/G Protein >> Prostaglandin Receptor Research Areas >> Inflammation/Immunology IC50: 0.19 μM (PGHS-2), 20 μM (PGHS-1)[1] References [1]. Johnson AR, et al. Slow-binding inhibition of human prostaglandin endoperoxide synthase-2 with darbufelone, an isoform-selective antiinflammatory di-tert-butyl phenol. Biochemistry. 2001 Jun 26;40(25):7736-45. [2]. Ye X, et al. Darbufelone, a novel anti-inflammatory drug, induces growth inhibition of lung cancer cells both in vitro and in vivo. Cancer Chemother Pharmacol. 2010 Jul;66(2):277-85. Chemical & Physical Properties Molecular Formula C18H24N2O2S Exact Mass 332.155853 PSA 98.48000 Index of Refraction 1.589 InChIKey AKTXOQVMWSFEBQ-UHFFFAOYSA-N Safety Information HS Code 2934100090 |
| Tax Rebate | 9.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0% |
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