alpha-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.13,7]decane-1-acetic acid
Grundinformationen
- CAS
709031-31-2- Standard-SMILES
CC(C)(C)OC(=O)NC(C(=O)O)C12CC3CC(CC(O)(C3)C1)C2- InChIKey
UKCKDSNFBFHSHC-UHFFFAOYSA-N- Summenformel
- C17H27NO5
- Durchschnittliche Molmasse
- 325,4 g/mol
- Monoisotopische Masse
- 325,18892296
Namen und Bezeichner
- Bevorzugter Name
- alpha-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.13,7]decane-1-acetic acid
- IUPAC
- 2-(3-hydroxy-1-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
- Englischer Name
- Boc-3-hydroxy-1-adamantyl-DL-glycine
- Summenformel
- C17H27NO5
- Molmasse
- 325.41
Namen und Synonyme
709031-31-2alpha-(((1,1-Dimethylethoxy)carbonyl)amino)-3-hydroxytricyclo(3.3.1.13,7)decane-1-acetic acidalpha-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.13,7]decane-1-acetic acidRefChem:318155361442-00-4BOC-3-Hydroxy-1-adamantyl-D-Glycine(S)-N-Boc-3-hydroxyadamantylglycineTricyclo[3.3.1.13,7]decane-1-acetic acid, alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-1334321-39-9C17H27NO5Boc-3-hydroxy-1-adamantyl-glycineboc-3-hydroxy-1-adamantyl-dl-glycine
Weitere Namen anzeigen
Tricyclo[3.3.1.13,7]decane-1-acetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-
(R)-N-Boc-2-(3-hydroxyadamant-1-yl)glycineSCHEMBL2549745UKCKDSNFBFHSHC-UHFFFAOYSA-NDTXSID101123074(alphaS)-alpha-[[(1,1-DiMethylethoxy)carbonyl]aMino]-3-hydroxytricyclo [3.3.1.13,7]decane-1-acetic acidJDB03131JDC321392-((tert-butoxycarbonyl)amino)-2-(3-hydroxyadamantan-1-yl)acetic acid
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 95,9 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 510
Physikochemische Eigenschaften
- Siedepunkt
- 497.3 · 497.3±20.0 °C(Predicted)
- Dichte
- 1.296 · 1.296±0.06 g/cm3(Predicted)
- pka
- 3.93 · 3.93±0.10(Predicted)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 08-01-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/13388
Hazard Classes and CategoriesNot Classified
Chemie und Industrie
Anwendungen
VerwendenBoc-3-hydroxy-1-adamantyl-DL-glycine is an intermediate for the synthesis of Boc-3-hydroxy-1-adamantyl-glycine (B656425), which is an impurity of Saxagliptin (S143500), which is a potent and selective reversible inhibitor of dipeptidyl peptidase-4, which is being developed for the treatment of type 2 diabetes. It is absorbed rapidly after oral administration and has a pharmacokinetic profile compatible with once daily dosing.
Anbieter4 Anbieter
武汉艾瑞尔化学科技有限公司18986259541 18986259541 · [email protected]
武汉凯美克化学科技有限公司027-87342388 18086026008 · [email protected]
南京毕科生物科技有限公司025-58906079 17352406906 · [email protected]
Nanjing Bicbiotechnology Co., Ltd+86-2552131256 +86-18251840740 · [email protected]
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