Salvinorin A Carbamate
Grundinformationen
- CAS
858345-57-0- Standard-SMILES
COC(=O)[C@@H]1C[C@H](OC(N)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C- InChIKey
FHTGZEVOZWRYEL-XOKLNVNFSA-N- Summenformel
- C22H27NO8
- Durchschnittliche Molmasse
- 433,5 g/mol
Namen und Bezeichner
- Bevorzugter Name
- Salvinorin A Carbamate
- IUPAC
- methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-carbamoyloxy-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
- Englischer Name
- Salvinorin A Carbamate
- Summenformel
- C22H27NO8
- Molmasse
- 433.45
Namen und Synonyme
Salvinorin A Carbamate858345-57-0methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-carbamoyloxy-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylateC22H27NO8orb2282967CHEMBL3349979HY-130482T85295(2S,4aR,6aR,7R,9S,10aS,10bR)-9-[(aminocarbonyl)oxy]-2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-2H-naphtho[2,1-c]pyran-7-carboxylic acid, methyl ester(2S,4aR,6aR,7R,9S,10aS,10bR)-9-[(aminocarbonyl)oxy]-2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-2H-naphtho[2,1-c]pyran-7-carboxylicacid,methylestermethyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-carbamoyloxy-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylateMethyl (2S,4aR,6aR,7R,9S,10aS,10Br)-9-carbamoyloxy-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f ]isochromene-7-carboxylate
Weitere Namen anzeigen
2H-Naphtho[2,1-c]pyran-7-carboxylic acid, 9-[(aminocarbonyl)oxy]-2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-, methyl ester, (2S,4aR,6aR,7R,9S,10aS,10bR)-
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 135 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 31
- Formalladung
- 0
- Komplexität
- 798
Physikochemische Eigenschaften
- Siedepunkt
- 627.8 · 627.8±55.0 °C(Predicted)
- Dichte
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- 1 mg/ml; · Acetonitrile: 1 mg/ml; DMF: 1 mg/ml; DMSO: 2 mg/ml; DMSO:PBS (pH 7.2) (1:1): 0.5 mg/ml
- Aggregatzustand
- A crystalline solid
- pka
- 12.93 · 12.93±0.50(Predicted)
Chemie und Industrie
Anwendungen
BeschreibungSalvinorin A carbamate is a potent κ-opioid receptor (KOR) full agonist that is almost as potent as salvinorin A with EC50 values of 6.2 and 4.5 nM, respectively, for activation of the human KOR to enhance binding of [35S]GTPγS. The addition of a carbamate group to salvinorin A increases biological stability by decreasing deacetylation.
Anbieter4 Anbieter
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
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