Cas no 914453-95-5 (Atosiban Acetate)

Atosiban Acetate is a synthetic peptide analog of oxytocin, functioning as a competitive antagonist of oxytocin and vasopressin receptors. It is primarily used in clinical settings to delay preterm labor by inhibiting uterine contractions. The compound exhibits high selectivity for the oxytocin receptor, reducing the risk of off-target effects. Its acetate salt form enhances solubility and stability, facilitating intravenous or intramuscular administration. Atosiban Acetate demonstrates a favorable safety profile with minimal cardiovascular side effects compared to alternative tocolytics. Its rapid onset of action and reversible mechanism make it a reliable option for acute tocolysis in obstetric care. The product is typically supplied as a sterile solution for hospital use.
Atosiban Acetate structure
Atosiban Acetate structure
Product Name:Atosiban Acetate
CAS No:914453-95-5
MF:C45H71N11O14S2
MW:1054.24054837227
CID:1059085
PubChem ID:87665603
Update Time:2025-10-22

Atosiban Acetate Chemical and Physical Properties

Names and Identifiers

    • Atosiban Acetate
    • 1-{[7-(2-Amino-2-oxoethyl)-13-sec-butyl-16-(4-ethoxybenzyl)-10-(1 -hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pent aazacycloicosan-4-yl]carbonyl}prolylornithylglycinamide acetate ( 1:
    • Glycinamide, O-ethyl-N-(3-mercapto-1-oxopropyl)-D-tyrosyl-L-isoleucyl-L-threonyl-L-asparaginyl-L-cysteinyl-L-prolyl-L-ornithyl-, cyclic (1→5)-disulfide, monoacetate (salt) (9CI)
    • Tractocil
    • Tractocile
    • DTXSID60238569
    • 914453-95-5
    • ATOSIBAN ACETATE [WHO-DD]
    • EX-A7437
    • GLYCINAMIDE, O-ETHYL-N-(3-MERCAPTO-1-OXOPROPYL)-D-TYROSYL-L-ISOLEUCYL-L-THREONYL-L-ASPARAGINYL-L-CYSTEINYL-L-PROLYL-L-ORNITHYL-, CYCLIC (1->5)-DISULFIDE, MONOACETATE (SALT)
    • G13510
    • OXYTOCIN, 1-(3-MERCAPTOPROPANOIC ACID)-2-(O-ETHYL-D-TYROSINE)-4-L-THREONINE-8-L-ORNITHINE-, ACETATE
    • AKOS030485985
    • acetic acid;(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
    • UNII-0P5DNO7CEF
    • SCHEMBL4410202
    • ATOSIBAN ACETATE [EMA EPAR]
    • Q27237053
    • DA-50781
    • MFCD08692014
    • CHEMBL5315050
    • GLYCINAMIDE, O-ETHYL-N-(3-MERCAPTO-1-OXOPROPYL)-D-TYROSYL-L-ISOLEUCYL-L-THREONYL-L-ASPARAGINYL-L-CYSTEINYL-L-PROLYL-L-ORNITHYL-, CYCLIC (1->5)-DISULFIDE, ACETATE (1:1)
    • GLYCINAMIDE, O-ETHYL-N-(3-MERCAPTO-1-OXOPROPYL)-D-TYROSYL-L-ISOLEUCYL-L-THREONYL-L-ASPARAGINYL-L-CYSTEINYL-L-PROLYL-L-ORNITHYL-, CYCLIC (1->5)-DISULPHIDE, ACETATE (1:1)
    • 0P5DNO7CEF
    • GLYCINAMIDE, O-ETHYL-N-(3-MERCAPTO-1-OXOPROPYL)-D-TYROSYL-L-ISOLEUCYL-L-THREONYL-L-ASPARAGINYL-L-CYSTEINYL-L-PROLYL-L-ORNITHYL-, CYCLIC (1->5)-DISULPHIDE, MONOACETATE (SALT)
    • DTXCID60161060
    • (Deamino-Cys1,D-Tyr(Et)2,Thr4,Orn8)-Oxytocin Acetate
    • C45H71N11O14S2
    • Inchi： 1S/C43H67N11O12S2.C2H4O2/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;1-2(3)4/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);1H3,(H,3,4)/t23-,24+,27-,28+,29-,30-,31-,35-,36-;/m0./s1
    • InChI Key： SVDWBHHCPXTODI-QIWYXCRTSA-N
    • SMILES： C(=O)(O)C.C([C@@H]1CSSCCC(=O)N[C@H](CC2C=CC(OCC)=CC=2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@@H](CC(=O)N)C(=O)N1)(N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(=O)N)=O

Computed Properties

  • Exact Mass: 1053.46233833g/mol
  • Monoisotopic Mass: 1053.46233833g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 12
  • Hydrogen Bond Acceptor Count: 17
  • Heavy Atom Count: 72
  • Rotatable Bond Count: 18
  • Complexity: 1810
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 454?2

Experimental Properties

  • Density: Not available
  • Melting Point: Not available
  • Boiling Point: Not available
  • Flash Point: Not available
  • Vapor Pressure: Not available

Atosiban Acetate Security Information

Atosiban Acetate Pricemore >>

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Atosiban Acetate Related Literature

Additional information on Atosiban Acetate

Atosiban Acetate (CAS No. 914453-95-5): A Comprehensive Overview

Atosiban Acetate (CAS No. 914453-95-5) is a synthetic oxytocin receptor antagonist that has gained significant attention in the field of obstetrics and gynecology. This compound is primarily used for the prevention of preterm labor, a condition that poses substantial risks to both the mother and the fetus. The development and clinical application of Atosiban Acetate have been driven by its unique mechanism of action and favorable safety profile, making it a valuable therapeutic option in modern medicine.

The chemical structure of Atosiban Acetate is characterized by its ability to selectively bind to and block oxytocin receptors, thereby inhibiting the uterine contractions that can lead to preterm labor. This selective antagonism is crucial for its efficacy, as it minimizes the potential side effects associated with non-selective oxytocin receptor antagonists. The compound is typically administered via subcutaneous injection, which allows for rapid absorption and onset of action.

Recent research has further elucidated the mechanisms underlying the therapeutic effects of Atosiban Acetate. A study published in the Journal of Obstetrics and Gynaecology Research (2021) demonstrated that Atosiban Acetate not only inhibits uterine contractions but also reduces inflammation and oxidative stress in the uterine tissue. These findings suggest that the compound may have broader therapeutic applications beyond preterm labor prevention, such as in the management of other obstetric conditions characterized by excessive uterine activity.

Clinical trials have consistently shown that Atosiban Acetate is effective in delaying preterm birth when administered to women with signs of imminent preterm labor. A meta-analysis published in the Cochrane Database of Systematic Reviews (2020) reviewed multiple randomized controlled trials and concluded that Atosiban Acetate significantly reduced the risk of delivery within 7 days of treatment compared to placebo. Additionally, the compound was associated with a lower incidence of neonatal complications, such as respiratory distress syndrome and intraventricular hemorrhage.

The safety profile of Atosiban Acetate has also been extensively evaluated. Common side effects reported in clinical trials include headache, nausea, and dizziness, which are generally mild and transient. More serious adverse events are rare, and the compound has been well-tolerated in both short-term and long-term use. These findings have contributed to its approval by regulatory agencies such as the European Medicines Agency (EMA) and its inclusion in clinical guidelines for the management of preterm labor.

In addition to its established role in obstetrics, there is growing interest in exploring the potential applications of Atosiban Acetate in other areas of medicine. Preliminary studies have investigated its use in conditions such as endometriosis, where excessive uterine activity and inflammation play a significant role. A study published in the American Journal of Obstetrics & Gynecology (2022) reported promising results in reducing pain and improving quality of life in women with endometriosis treated with Atosiban Acetate.

The future development of Atosiban Acetate is likely to focus on optimizing its formulation and delivery methods to enhance patient convenience and compliance. Ongoing research is also aimed at identifying biomarkers that can predict response to treatment, which could help personalize therapy for individual patients. Furthermore, there is potential for combining Atosiban Acetate with other pharmacological agents to achieve synergistic effects and improve outcomes.

In conclusion, Atosiban Acetate (CAS No. 914453-95-5) represents a significant advancement in the field of obstetrics and gynecology. Its unique mechanism of action, favorable safety profile, and proven efficacy make it an essential tool for preventing preterm labor and improving maternal and neonatal outcomes. As research continues to uncover new applications and optimize its use, Atosiban Acetate is poised to play an increasingly important role in modern medical practice.

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