3-[4-(1,3,4-Oxadiazol-2-yl)phenoxymethyl]-5-[5-trifluoroacetyl-thien-2-yl]-1,2,4-oxadiazole

CAS: 946500-06-7

Ref. TR-O845005

Product Information

• Name: 3-[4-(1,3,4-Oxadiazol-2-yl)phenoxymethyl]-5-[5-trifluoroacetyl-thien-2-yl]-1,2,4-oxadiazole
• Synonyms: (3R,6R)-6-[2-[[2-[bis[2-[(2R,5R)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxyethyl]amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
• Brand: TRC
• Description: Applications 3-[4-(1,3,4-Oxadiazol-2-yl)phenoxymethyl]-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)

Chemical properties

• Molecular weight: 1032.998
• Formula: C₄₂H₆₄N₈O₂₂
• Color/Form: Neat
• InChI: InChI=1S/C42H64N8O22/c51-15-11-49(12-16-67-38-27(58)21(52)24(55)30(70-38)35(61)62)41-43-19-20(33(45-41)47-7-3-1-4-8-47)44-42(46-34(19)48-9-5-2-6-10-48)50(13-17-68-39-28(59)22(53)25(56)31(71-39)36(63)64)14-18-69-40-29(60)23(54)26(57)32(72-40)37(65)66/h21-32,38-40,51-60H,1-18H2,(H,61,62)(H,63,64)(H,65,66)/t21?,22?,23?,24-,25-,26-,27?,28?,29?,30?,31?,32?,38-,39-,40-/m1/s1
• InChI key: InChIKey=KQEKRPGUAFBJPM-DQERDPGRSA-N
• SMILES: O=C(O)C1O[C@@H](OCCN(CCO)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