Atrasentan Hydrochloride
Grundinformationen
- CAS
195733-43-8- Standard-SMILES
CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1.Cl- InChIKey
IJFUJIFSUKPWCZ-SQMFDTLJSA-N- Summenformel
- C29H39ClN2O6
- Durchschnittliche Molmasse
- 547,1 g/mol
- Monoisotopische Masse
- 546,2496647
Überblick
Atrasentan Hydrochloride is the orally available hydrochloride salt of pyrrolidine-3-carboxylic acid with potential antineoplastic activity. As a selective antagonist of the endothelin-A (ETA) receptor, atrasentan binds selectively to the ETA receptor, which may result in inhibition of endothelin-induced angiogenesis and tumor cell proliferation.
Namen und Bezeichner
- Bevorzugter Name
- Atrasentan Hydrochloride
- IUPAC
- (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride
- Englischer Name
- Atrasentan hydrochloride
- Summenformel
- C29H38N2O6.ClH
- Molmasse
- 547.08
Namen und Synonyme
Atrasentan hydrochloride195733-43-8Atrasentan HClABBOT-147627E4G31X93ZAA-147627.1DTXSID20173240XinlayNSC720763RefChem:115500DTXCID7095731(2R,3R,4S)-4-(1,3-Benzodioxo-5-yl)-1-(2-(dibutylamino)-2-oxoethyl)-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic Acid Monohydrochloride
Weitere Namen anzeigen
ABT627ABT 627A 147627.1Abbott 147627Unii-E4G31X93zaABT-627 hydrochlorideA-147627 hydrochloride
Atrasentan (hydrochloride)Atrasentan hydrochloride [USAN]3-Pyrrolidinecarboxylicacid,4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-,hydrochloride (1:1), (2R,3R,4S)-ABT-627(2R,3R,4S)-4-(Benzo[d][1,3]dioxol-5-yl)-1-(2-(dibutylamino)-2-oxoethyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid hydrochlorideBS-16407(2R,3R,4S)-1-((Dibutylcarbamoyl)methyl)-2-(p-methoxyphenyl)-4-(3,4-(methylenedioxy)phenyl)-3-pyrrolidinecarboxylic acid, monohydrochloride(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride
Datenbank-Bezeichner
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 88,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 12
- Schwere Atome
- 38
- Formalladung
- 0
- Komplexität
- 734
Experimentelle und physikochemische Eigenschaften
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Physikochemische Eigenschaften
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Löslichkeit
- Soluble in DMSO
- Aggregatzustand
- Powder
- Farbe
- Off-white to gray
- InChIKey
- IJFUJIFSUKPWCZ-FZVADPAUNA-N
- SMILES
- C1(=CC2=C(OCO2)C=C1)[C@@H]1[C@@H](C(=O)O)[C@H](C2C=CC(OC)=CC=2)N(CC(N(CCCC)CCCC)=O)C1.Cl |&1:9,10,14,r|
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
- WGK 3
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Compounds and drugs that bind to and inhibit or block the activation of ENDOTHELIN A RECECPTORS.
Anwendungen
BeschreibungAtrasentan Hydrochloride is the orally available hydrochloride salt of pyrrolidine-3-carboxylic acid with potential antineoplastic activity. As a selective antagonist of the endothelin-A (ETA) receptor, atrasentan binds selectively to the ETA receptor, which may result in inhibition of endothelin-induced angiogenesis and tumor cell proliferation.
VerwendenAtrasentan belongs to a pyrrolidine and benzodioxole derivative. It is a selective antagonist of the endothelin-A (ETA) receptor and binds selectively to the ETA receptor, which may result in the inhibition of endothelin-induced angiogenesis and tumor cell proliferation. Its potential therapeutic uses include the treatment of diabetic nephropathies and as an antineoplastic agent.
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北京华美互利生物化工010-56205725 · [email protected]
天津欣康佑生物科技有限公司19922659386 · [email protected]
BEIJING SJAR TECHNOLOGY DEVELOPMENT CO., LTD.+86-18600796368 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司
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