3-[(2-Thienylsulfonyl)methyl]-5-[5-trifluoroacetyl-thien-2-yl]-1,2,4-oxadiazole

CAS: 946499-88-3

Ref. TR-T344265

Produktinformation

• Name: 3-[(2-Thienylsulfonyl)methyl]-5-[5-trifluoroacetyl-thien-2-yl]-1,2,4-oxadiazole
• Synonyme: 2,2,2-Trifluoro-1-[5-[3-[(2-thienylsulfonyl)methyl]-1,2,4-oxadiazol-5-yl]-2-thienyl]-ethanone
• Marke: TRC

Beschreibung

Applications 3-[(2-Thienylsulfonyl)methyl]-5-[5-trifluoroacetyl-thien-2-yl]-1,2,4-oxadiazole is a possible class II human histone deacetylase inhibitor.
References Muraglia, E., et al.: Bioorg. Med. Chem. Lett., 18, 6083 (2008)

Chemische Eigenschaften

• Molekulargewicht: 1209.122
• Formel: C₄₈H₇₂N₈O₂₈
• Farbe/Form: Neat
• InChl: InChI=1S/C48H72N8O28/c57-21-25(61)33(39(69)70)81-43(29(21)65)77-15-11-55(12-16-78-44-30(66)22(58)26(62)34(82-44)40(71)72)47-50-20-19(37(51-47)53-7-3-1-4-8-53)49-48(52-38(20)54-9-5-2-6-10-54)56(13-17-79-45-31(67)23(59)27(63)35(83-45)41(73)74)14-18-80-46-32(68)24(60)28(64)36(84-46)42(75)76/h21-36,43-46,57-68H,1-18H2,(H,69,70)(H,71,72)(H,73,74)(H,75,76)/t21?,22?,23?,24?,25-,26-,27-,28-,29?,30?,31?,32?,33?,34?,35?,36?,43-,44-,45-,46-/m1/s1
• InChI Key: InChIKey=TUWOQAXKVQZJOS-ZRTFXYMNSA-N
• SMILES: O=C(O)C1O[C@@H](OCCN(CCO[C@@H]2OC(C(=O)O)[C@H](O)C(O)C2O)c2nc(N3CCCCC3)c3nc(N(CCO[C@@H]4OC(C(=O)O)[C@H](O)C(O)C4O)CCO[C@@H]4OC(C(=O)O)[C@H](O)C(O)C4O)nc(N4CCCCC4)c3n2)C(O)C(O)[C@H]1O