Pinoxaden-d3

CAS: 243973-20-8

Ref. TR-P469507

Product Information

• Name: Pinoxaden-d3
• Synonyms: NewAxial-d3, 8-(2,6-Diethyl-4-methylphenyl)-1,2,4,5-tetrahydro-7-oxo-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl 2,2-Dimethyl-propanoic Acid Ester-d3, 8-(2,6-Diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl-2,2-dimethylpropanoat, 8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl pivalate, 8-(2,6-diethyl-p-tolyl)-1,2,4,5-tetrahydro-7-oxo-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl, NewAxial, Pinoxaden, Propanoic acid, 2,2-dimethyl-, 8-(2,6-diethyl-4-methylphenyl)-1,2,4,5-tetrahydro-7-oxo-7H-pyrazolo(1,2-d)(1,4,5)oxadiazepin-9-yl ester

Description

Applications Pinoxaden-d3 is a deuterized labeled form of Pinoxaden (P469505), which is derived from Diethylene Glycol Dimethanesulfonate (D444275), an intermediate in the production of alkylating agents.
References Wong, I., et al.: J. Med. Chem., 52, 5311 (2009); Muehlebach, M., et al.: Bioorg. Med. Chem., 17, 4241 (2009)

• Brand: TRC

Chemical properties

• Molecular weight: 403.53
• Formula: C₂₃H₂₉D₃N₂O₄
• Color/Form: Off-White
• InChI: InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3/i4D3
• InChI key: InChIKey=MGOHCFMYLBAPRN-GKOSEXJESA-N
• SMILES: [2H]C([2H])([2H])C(C)(C)C(=O)Oc1c(-c2c(CC)cc(C)cc2CC)c(=O)n2n1CCOCC2