Methyl 3-((2R)-2-Hydroxy-4-(((((S)-1-methoxy-1-oxopropan-2-yl)amino)(phenoxy)phosphoryl)oxy)-3,3-dimethylbutanamido)propanoate (Mixture of Diastereomers)

CAS: 1858268-66-2

Ref. TR-M312160

Product Information

• Name: Methyl 3-((2R)-2-Hydroxy-4-(((((S)-1-methoxy-1-oxopropan-2-yl)amino)(phenoxy)phosphoryl)oxy)-3,3-dimethylbutanamido)propanoate (Mixture of Diastereomers)
• Synonyms: Fosmetpantotenate, RE 024, Dimethyl 8-hydroxy-2,7,7-trimethyl-4,9-dioxo-4-phenoxy-5-oxa-3,10-diaza-4λ5-phosphatridecanedioate,mixture of (2S,4R,8R) and (2S,4S,8R) Epimers
• Brand: TRC
• Description: Applications Methyl 3-((2R)-2-Hydroxy-4-(((((S)-1-methoxy-1-oxopropan-2-yl)amino)(phenoxy)phosphoryl)oxy)-3,3-dimethylbutanamido)propanoate can be used in biological study of correction of genetic deficiency in pantothenate kinase 1 using phosphopantothenate replacement therapy. Compound described in a 2013 patent.References Zano, S., et al.: Mol Genet Metab, 116, 281 (2015)

Chemical properties

• Molecular weight: 474.44
• Formula: C₂₀H₃₁N₂O₉P
• Color/Form: Neat
• InChI: InChI=1S/C20H31N2O9P/c1-14(19(26)29-5)22-32(27,31-15-9-7-6-8-10-15)30-13-20(2,3)17(24)18(25)21-12-11-16(23)28-4/h6-10,14,17,24H,11-13H2,1-5H3,(H,21,25)(H,22,27)/t14-,17-,32?/m0/s1
• InChI key: InChIKey=HUWUHKIPYXWUPN-YVRVQSMLSA-N
• SMILES: COC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(N[C@@H](C)C(=O)OC)Oc1ccccc1