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90779-69-4

Basic Information
CAS No.: 90779-69-4
Name: Atosiban
Molecular Structure:
Molecular Structure of 90779-69-4 (Atosiban)
Formula: C43H67N12O38S2
Molecular Weight: 994.19
Synonyms: Oxytocin,1-(3-mercaptopropanoicacid)-2-(O-ethyl-D-tyrosine)-4-L-threonine-8-L-ornithine-;Antocile;Antocin;Antocin II;CAP 449;CAP 476;CAP 581;F 314;ORF 22164;RW22164;RWJ 22164;Tractocil;Tractocile;Atosiban Acetate;
EINECS: 806-815-5
Density: 1.254 g/cm3
Boiling Point: 1469 °C at 760 mmHg
Flash Point: 842.2 °C
Solubility: H2O: ≤100 mg/mL
Appearance: solid
PSA: 416.27000
LogP: 1.42000
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Chemistry

Product Name: Atosiban (CAS NO.90779-69-4)
IUPAC Name: (2S)-N-[(2S)-5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[(1R,4S,10S,13R)-4-(2-amino-2-oxoethyl)-10-[(2S)-butan-2-yl]-13-[(4-ethoxyphenyl)methyl]-7-[(1R)-1-hydroxyethyl]-3,6,9,12,15-pentaoxo-18,19-dithia-2,5,8,11,14-pentazacycloicosane-1-carbonyl]pyrrolidine-2-carboxamide

Molecular Formula: C43H67N11O12S2
Molecular Weight: 994.19g/mol
Mol File: 90779-69-4.mol
Boiling point: 1469 °C at 760 mmHg
Storage Temperature: -20°C
Flash Point: 842.2 °C
Density: 1.254 g/cm3
Water Solubility: ≤100 mg/mL
Index of Refraction: 1.549 
Molar Refractivity: 252.16 cm3 
Molar Volume: 792.2 cm3 
Surface Tension: 50.7 dyne/cm
Enthalpy of Vaporization: 236.04 kJ/mol
XLogP3-AA: -1.9
H-Bond Donor: 11
H-Bond Acceptor: 13
Product Categories: Peptide

Uses

 Atosiban (CAS NO.90779-69-4) is a medicine which is used in stopping premature labour.Atosiban is a synthetic peptide ([Mpa1,D-Tyr(Et)2,Thr4,Orn8]-oxytocin) which is a competitive antagonist of human oxytocin at receptor level. In rats and guinea pigs, atosiban acetate was shown to bind to oxytocin receptors, to decrease the frequency of contractions and the tone of the uterine musculature, resulting in a suppression of uterine contractions. Atosiban was also shown to bind to the vasopressin receptor, thus inhibiting the effect of vasopressin. In animals atosiban did not exhibit cardiovascular effects.In human preterm labour, atosiban at the recommended dosage antagonises uterine contractions and induces uterine quiescence. The onset of uterus relaxation following atosiban is rapid, uterine contractions being significantly reduced within 10 minutes to achieve stable uterine quiescence (≤ 4 contractions/hour) for 12 hours.

Specification

 Atosiban , its CAS NO. is 90779-69-4, the synonyms are 1-(3-Mercaptopropanoic acid)-2-(O-ethyl-D-tyrosine)-4-L-threonine-8-L-ornithineoxytocin ; 1-Deamino-2-D-Tyr-(O-ethyl)-4-Thr-8-ornoxytocin ; (2S)-N-[(1S)-4-Amino-1-(carbamoylmethylcarbamoyl)butyl]-1-[(4S,7S,13S,16R)-13-[(2S)-butan-2-yl]-7-(carbamoylmethyl)-16-[(4-ethoxyphenyl)methyl]-10-(1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide .