[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

Product Information

• Name: [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
• Synonyms: [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

Description

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);

• Brand: TRC

Chemical properties

• Molecular weight: 457.584
• Formula: C₂₁H₃₅N₃O₆S
• Color/Form: 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
• InChI key: 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