[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

Produktinformation

• 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
• Synonyme: [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

Beschreibung

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);

• Marke: TRC

Chemische Eigenschaften

• Molekulargewicht: 457.584
• Formel: C₂₁H₃₅N₃O₆S
• Farbe/Form: Neat
• InChl: 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