[2R-[2α(S*),4β]]-4-[[(2,2-Dimethyl-1-oxopropoxy)methoxy]carbonyl]-α-[[(hexahydro-1H-azepin-1-yl)methylene]amino]-5,5-dimethyl-2-thiazolidineacetic Acid

CAS: 72584-25-9

Ref. TR-D465720

Informação sobre produto

• Nome: [2R-[2α(S*),4β]]-4-[[(2,2-Dimethyl-1-oxopropoxy)methoxy]carbonyl]-α-[[(hexahydro-1H-azepin-1-yl)methylene]amino]-5,5-dimethyl-2-thiazolidineacetic Acid
• Sinónimos: [2R-[2alpha(S*),4beta]]-4-[[(2,2-Dimethyl-1-oxopropoxy)methoxy]carbonyl]-alpha-[[(hexahydro-1H-azepin-1-yl)methylene]amino]-5,5-dimethyl-2-thiazolidineacetic Acid, 2-Thiazolidineacetic acid, 4-[[(2,2-dimethyl-1-oxopropoxy)methoxy]carbonyl]-a-[[(hexahydro-1H-azepin-1-yl)methylene]amino]-5,5-dimethyl-, [2R-[2a(S*),4ß]]- (9CI), [2R-[2a(S*),4ß]]-4-[[(2,2-Dimethyl-1-oxopropoxy)methoxy]carbonyl]-a-[[(hexahydro-1H-azepin-1

Descrição

Applications [2R-[2α(S*),4β]]-4-[[(2,2-Dimethyl-1-oxopropoxy)methoxy]carbonyl]-α-[[(hexahydro-1H-azepin-1-yl)methylene]amino]-5,5-dimethyl-2-thiazolidineacetic Acid is an impurity of Pivmecillinam (P550700), an orally active prodrug of Amdinocillin (A576300), an broad spectrum penicillin antibiotic that binds specifically to penicillin binding protein 2.
References Ejim, L., et al.: Nature. Chem. Biol., 7, 348 (2011); Lees, G.M., et al.: Brit. J. Pharmacol., 73, 535 (1981);

• Marca: TRC

Propriedades químicas

• Peso molecular: 457.584
• Fórmula: C₂₁H₃₅N₃O₆S
• Cor/forma: Neat
• InChI: InChI=1S/C21H35N3O6S/c1-20(2,3)19(28)30-13-29-18(27)15-21(4,5)31-16(23-15)14(17(25)26)22-12-24-10-8-6-7-9-11-24/h12,14-16,23H,6-11,13H2,1-5H3,(H,25,26)/t14-,15+,16-/m1/s1
• Chave InChI: InChIKey=WDPMCVJSIGRIOZ-IYCHMJBESA-N
• SMILES: CC(C)(C)C(=O)OCOC(=O)[C@@H]1N[C@@H]([C@H](/N=C/N2CCCCCC2)C(=O)O)SC1(C)C