O-Desmethyl Midostaurin-d5

CAS: 740816-86-8

Ref. TR-D291401

Product Information

• Name: O-Desmethyl Midostaurin-d5
• Synonyms: 2,3,4,5,6-pentadeuterio-N-[(2S,3R,4R,6R)-3-hydroxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-4-yl]-N-methylbenzamide

Description

Applications O-Desmethyl Midostaurin-d5 is a deuterium labelled derivative of O-Desmethyl Midostaurin (D291400(M)). O-Desmethyl Midostaurin is a metabolite of Midostaurin (M343760), a compound shown to possess antiproliferative characteristics via inhibition of protein kinase C, kinase insert domain receptor, and c-kit. O-Desmethyl Midostaurini is also an active metabolite involved in cytochrome P450 liver enzyme metabolism.
References Tahtouh, T., et al.: J. Med. Chem., 55, 9312 (2012); Pedeboscq, S., et al.: PLoS. One., 7, 36811 (2012); Levis, M., et al.: NLM, 108, 3477 (2006)

• Brand: TRC

Chemical properties

• Molecular weight: 561.641
• Formula: C₃₄D₅H₂₃N₄O₄
• Color/Form: Neat
• InChI: InChI=1S/C34H28N4O4/c1-34-31(39)24(36(2)33(41)18-10-4-3-5-11-18)16-25(42-34)37-22-14-8-6-12-19(22)27-28-21(17-35-32(28)40)26-20-13-7-9-15-23(20)38(34)30(26)29(27)37/h3-15,24-25,31,39H,16-17H2,1-2H3,(H,35,40)/t24-,25-,31-,34+/m1/s1/i3D,4D,5D,10D,11D
• InChI key: InChIKey=PXOCRDZEEXVZQC-CANNTNAISA-N
• SMILES: [2H]c1c([2H])c([2H])c(C(=O)N(C)[C@@H]2C[C@H]3O[C@@](C)([C@@H]2O)n2c4ccccc4c4c5c(c6c7ccccc7n3c6c42)C(=O)NC5)c([2H])c1[2H]