기본 정보
- CAS
858345-57-0- 표준 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- 분자식
- C22H27NO8
- 평균 분자량
- 433.5 g/mol
이름 및 식별자
- 우선 이름
- 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
- 영어명
- Salvinorin A Carbamate
- 분자식
- C22H27NO8
- 분자량
- 433.45
이름 및 동의어
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
이름 더 보기
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)-
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 135 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 798
물리화학적 성질
- 끓는 점
- 627.8 · 627.8±55.0 °C(Predicted)
- 밀도
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 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
- 물리적 상태
- 결정성 고체
- 산도 계수 (pKa)
- 12.93 · 12.93±0.50(Predicted)
화학 및 산업
응용 분야
개요Salvinorin 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.
공급사4 곳
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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