For research use only. Not for therapeutic Use.
Atosiban (Cat.No:I005420) is a synthetic peptide used as a tocolytic agent to delay or inhibit premature labor. It acts as an antagonist of the hormone oxytocin, which stimulates uterine contractions. Atosiban competitively binds to the oxytocin receptor, inhibiting the oxytocin-induced contractions. It is commonly administered by injection and has a relatively short half-life.
Catalog Number | I005420 |
CAS Number | 90779-69-4 |
Synonyms | RW22164; Tractocile |
Molecular Formula | C43H67N11O12S2 |
Purity | ≥95% |
Target | Vasopressin Receptor |
Solubility | DMSO: < 10.3 mg/mL |
Storage | Store at -20°C |
IUPAC Name | (2S)-N-[(2S)-5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16R)-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-16-[(4-ethoxyphenyl)methyl]-10-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide |
InChI | 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/h11-14,23-24,27-31,35-36,55H,5-10,15-22,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,59)(H,48,58)(H,49,62)(H,50,64)(H,51,60)(H,52,61)(H,53,63)/t23-,24+,27-,28+,29-,30-,31-,35-,36-/m0/s1 |
InChIKey | VWXRQYYUEIYXCZ-OBIMUBPZSA-N |
SMILES | CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSCCC(=O)N[C@@H](C(=O)N1)CC2=CC=C(C=C2)OCC)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(=O)N)CC(=O)N)[C@@H](C)O InChIKey: VWXRQYYUEIYXCZ-OBIMUBPZSA-N |
Reference | <p> |