Introduction：Basic information about CAS 914453-95-5|Atosiban acetate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Atosiban acetate |
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| CAS Number | 914453-95-5 | Molecular Weight | 1054.240 |
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| Density | / | Boiling Point | / |
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| Molecular Formula | C45H71N11O14S2 | Melting Point | / |
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| MSDS | / | Flash Point | / |
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Names
| Name | 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 ( 1:1) |
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| Synonym | More Synonyms |
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Atosiban acetate BiologicalActivity
| Description | Atosiban acetate (RW22164 acetate;RWJ22164 acetate) is a nonapeptide competitive vasopressin/oxytocin receptor antagonist, and is a desamino-oxytocin analogue. Atosiban is the main tocolytic agent and has the potential for spontaneous preterm labor research[1]. |
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| Related Catalog | Research Areas >>CancerResearch Areas >>EndocrinologySignaling Pathways >>GPCR/G Protein >>Vasopressin ReceptorSignaling Pathways >>GPCR/G Protein >>Oxytocin Receptor |
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| In Vitro | Atosiban inhibits the oxytocin-mediated release of IP3 from the myometrial cell membrane. There is reduced release of intracellular, stored calcium from the sacroplasmic reticulum of myometrial cells, and reduced influx of Ca2+ from the extracellular space through voltage gated channels. In addition, Atosiban suppresses oxytocin-mediated release of PGE and PGF from the decidua[1]. |
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| In Vivo | The posterior pituitary hormones, oxytocin and arginine vasopressin, differ in structure by only two amino acids, and Atosiban influences physiological effects of arginine vasopressin on the feto-maternal cardiovascular and renal systems. In late-gestation sheep, the administration of Atosiban for 1 hour fails to induce fetomaternal cardiovascular changes[1]. Atosiban blocks the activation of oxytocin-receptor-expressing neurons in the parabrachial nucleus of mice[2]. |
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| References | [1]. Sanu O, et al. Critical appraisal and clinical utility of atosiban in the management of preterm labor. Ther Clin Risk Manag. 2010 Apr 26;6:191-9. [2]. Philip J Ryan, et al. Oxytocin-receptor-expressing Neurons in the Parabrachial Nucleus Regulate Fluid Intake. Nat Neurosci. 2017 Dec;20(12):1722-1733. |
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Chemical & Physical Properties
| Molecular Formula | C45H71N11O14S2 |
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| Molecular Weight | 1054.240 |
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| Exact Mass | 1053.462280 |
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| PSA | 479.98000 |
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| LogP | 3.04400 |
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| InChIKey | SVDWBHHCPXTODI-QIWYXCRTSA-N |
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| SMILES | CC(=O)O.CCOc1ccc(CC2NC(=O)CCSSCC(C(=O)N3CCCC3C(=O)NC(CCCN)C(=O)NCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(C(C)O)NC(=O)C(C(C)CC)NC2=O)cc1 |
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Synonyms
| 1-({(4R,7S,10S,13S,16R)-7-(2-Amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-16-(4-ethoxybenzyl)-10-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl}carbonyl)-L-prolyl-L-ornithylglycinamide acetate (1:1) |
| Glycinamide, 1-[[(4R,7S,10S,13S,16R)-7-(2-amino-2-oxoethyl)-16-[(4-ethoxyphenyl)methyl]-10-[(1R)-1-hydroxyethyl]-13-[(1S)-1-methylpropyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloeicos-4-yl]carbonyl]-L-prolyl-L-ornithyl-, acetate (1:1) (salt) |
| 1-({(4R,7S,10S,13S,16R)-7-(2-Amino-2-oxoethyl)-13-[(2S)-2-butanyl]-16-(4-ethoxybenzyl)-10-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl}carbonyl)-L-prolyl-L-ornithylglycinamide acetate (1:1) |
