1-(9-(4-chlorophenyl)-8-(2-chlorophenyl)-9H-purin-6-yl)-4-ethylaminopiperidine-4-carboxylic acid amide
Grundinformationen
- CAS
686344-29-6- Standard-SMILES
CCNC1(C(N)=O)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1- InChIKey
UNAZAADNBYXMIV-UHFFFAOYSA-N- Summenformel
- C25H25Cl2N7O
- Durchschnittliche Molmasse
- 510,4 g/mol
- Monoisotopische Masse
- 509,14976378
Überblick
Otenabant has been investigated for the treatment of Obesity.
Namen und Bezeichner
- Bevorzugter Name
- 1-(9-(4-chlorophenyl)-8-(2-chlorophenyl)-9H-purin-6-yl)-4-ethylaminopiperidine-4-carboxylic acid amide
- IUPAC
- 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-(ethylamino)piperidine-4-carboxamide
- Englischer Name
- Otenabant
- Summenformel
- C25H25Cl2N7O
- Molmasse
- 510.42
Namen und Synonyme
1-(9-(4-chlorophenyl)-8-(2-chlorophenyl)-9h-purin-6-yl)-4-ethylaminopiperidine-4-carboxylic acid amide1-[9-(4-Chlorophenyl)-8-(2-chlorophenyl)-9H-purin-6-yl]-4-ethylaminopiperidine-4-carboxylic Acid AmideRefChem:856989otenabant686344-29-6CP-945598CP945598CP-945,598Otenabant free base1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-(ethylamino)piperidine-4-carboxamideMFCD11973672CP 945598
Weitere Namen anzeigen
CS-1072Otenabant, >=98%CP945598 free baseOtenabant (CP-945,598)Otenabant, 10 mM in DMSO1-[9-(4-Chlorophenyl)-8-(2-chlorophenyl)-9H-purin-6-yl]-4-ethylaminopiperidine-4-carboxamide
1-(8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl)-4-(ethylamino)piperidine-4-carboxamide1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-(ethylamino)-4-piperidinecarboxamideJ8211Y53EFOtenabant (CP-945598 free base)1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-(ethylamino)piperidine-4-carboxamideOtenabant [USAN]Otenabant [USAN:INN]C25H25Cl2N7O
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,3
- Polarare Oberfläche (TPSA)
- 102 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 35
- Formalladung
- 0
- Komplexität
- 729
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
Physikochemische Eigenschaften
- Siedepunkt
- 757.9 · 757.9±70.0 °C(Predicted)
- Dichte
- 1.46 · 1.46
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- 100 mg/mL · DMSO : 100 mg/mL (195.92 mM; Need ultrasonic)
- Aggregatzustand
- Powder
- pka
- 16.3 · 16.30±0.20(Predicted)
- Farbe
- White to off-white
Chemie und Industrie
Pharmakologische Informationen
Mechanism of ActionPre-clinical and clinical trial data suggest that CB-1 antagonists may have favorable effects on glucose metabolism in patients with type 2 diabetes and may also be an effective therapy for the treatment of obesity.
Anbieter56 Anbieter
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
上海波以尔化工有限公司[email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
InvivoChem中国13549236410 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
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