Atosiban

Atosiban is a peptide analog of oxytocin (Cay-11799) that antagonizes the human oxytocin receptor (Ki = 81 nM). It also binds the vasopressin V1a receptor (Ki = 3.5 nM). Because of its effects on the oxytocin receptor, atosiban has tocolytic actions in the acute phase of imminent preterm birth.Formal Name: cyclic (1->5)-disulfide O-ethyl-N-(3-mercapto-1-oxopropyl)-D-tyrosyl-L-isoleucyl-L-threonyl-L-asparaginyl-L-cysteinyl-L-prolyl-L-ornithyl-glycinamide. CAS Number: 90779-69-4. Synonyms: Antocin, ORF 22164, RWJ 22164, Tractocile. Molecular Formula: C43H67N11O12S2. Formula Weight: 994.2. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 30 mg/ml, DMSO: 14 mg/ml, Ethanol: 5 mg/ml, PBS (pH 7.2): 5 mg/ml. lambdamax: 223, 246, 259, 270 nm. SMILES: O=C(N[C@H](CC1=CC=C(OCC)C=C1)C(N[C@H](C(N[C@@](C(N[C@H]2CC(N)=O)=O)([H])[C@H](O)C)=O)[C@@H](C)CC)=O)CCSSC[C@@H](C(N3CCC[C@H]3C(N[C@H](C(NCC(N)=O)=O)CCCN)=O)=O)NC2=O. InChi Code: InChI=1S/C43H67N11O12S2/c1-5-23(3)35-41(63)53-36(24(4)55)42(64)50-29(20-32(45)56)38(60)51-30(43(65)54-17-8-10-31(54)40(62)49-27(9-7-16-44)37(59)47-21-33(46)57)22-68-67-18-15-34(58)48-28(39(61)52-35)19-25-11-13-26(14-12-25)66-6-2/h11-14,23-24,27-31,35. InChi Key: VWXRQYYUEIYXCZ-OBIMUBPZSA-N.