Atosiban
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Grundinformationen
- CAS
90779-69-4- Standard-SMILES
CCOc1ccc(C[C@H]2NC(=O)CCSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1- InChIKey
VWXRQYYUEIYXCZ-OBIMUBPZSA-N- Summenformel
- C43H67N11O12S2
- Durchschnittliche Molmasse
- 994,208 g/mol
- Monoisotopische Masse
- 993,44120858
Namen und Bezeichner
- Bevorzugter Name
- Atosiban
- IUPAC
- 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-pentaazacycloicosane-4-carbonyl}-L-prolyl-L-ornithylglycinamide
- Englischer Name
- Atosiban
- Summenformel
- C43H67N11O12S2
- Molmasse
- 994.19
Namen und Synonyme
ATOSIBAN ACETATEAntocinRW-22164Atosiban impurityrwj22164AtosibanORF22164ORF 22164ORF-2216414-Deoxy-11
Datenbank-Bezeichner
- CAS
90779-69-4- PubChem CID
- 5311010
- DTXSID
DTXSID8048991- ChEMBL
CHEMBL382301- ChEBI
CHEBI:135899- UNII
- 081D12SI0Z
- EC Number
- 806-815-5
Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 165 oC · >165oC (dec.)
- Siedepunkt
- 1469 · 1469.0±65.0 °C(Predicted)
- Dichte
- 1.254 · 1.254±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- 2 O: · H2O: ≤100 mg/mL
- Aggregatzustand
- solid
- pka
- 12.81 · 12.81±0.70(Predicted)
- Farbe
- White to Off-White
- Wasserlöslichkeit
- 50 mg/ml · Soluble to 50 mg/ml in water
- InChIKey
- VWXRQYYUEIYXCZ-XDSPZVSENA-N
- CAS Datenbank
- 90779 · 90779-69-4(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2934999090
- RTECS-Nr.
- RS7590000
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
BeschreibungAtosiban was introduced in the UK as an injectable inhibitor of preterm labor, a major cause of infant morbidity and mortality. This peptidic oxytocin analog is an antagonist of the vasopressin V1a receptor and of the oxytocin receptor which is found in dramatically increased concentration in the uterine myometrium of pregnant women near term. It competitively inhibited contractions in the pregnant guinea pig uterus induced by oxytocin and vasopressin. In a multicenter, double-blind, placebo-controlled trial, treatment with atosiban caused pregnancy prolongation for up to 7 days in women with more than 28 weeks of gestation. In a comparative clinical trial, atosiban showed a comparable tocolytic action (uterine relaxant) to ritodrine but the former was significantly better tolerated, especially with regards to maternal cardiovascular side effects. In healthy volunteers, plasma levels of atosiban decreased bi-exponentially with an initial and a terminal half-life of 21 min and 1.7h respectively.
VerwendenAtosiban is an oxytocin receptor blocking agent in the treatment of experimental endometriosis and was shown exhibit significant therapeutic efficiency.
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