기본 정보
- CAS
501926-82-5- 표준 SMILES
COc1cccc2c(C(=O)N[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)cn(CCN3CCOCC3)c12- InChIKey
VQGDMQICNRCQEH-UFKXBGGNSA-N- 분자식
- C26H37N3O3
- 평균 분자량
- 439.6 g/mol
- 단동위원소 질량
- 439.28349205
이름 및 식별자
- 우선 이름
- 7-Methoxy-1-(2-morpholinoethyl)-N-((1S,4R)-1,3,3-trimethylbicyclo(2.2.1)heptan-2-yl)-1H-indole-3-carboxamide
- IUPAC
- 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide
- 영어명
- MN-25
- 분자식
- C26H37N3O3
- 분자량
- 439.59
이름 및 동의어
MN-25501926-82-5UR-12UNII-8WXU5YRE258WXU5YRE25MN 25CHEMBL32346717-methoxy-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide7-Methoxy-1-(2-morpholinoethyl)-N-((1S,4R)-1,3,3-trimethylbicyclo(2.2.1)heptan-2-yl)-1H-indole-3-carboxamide(N-((S)-Fenchyl)-1-(2-(morpholin-4-yl)ethyl)-7-methoxyindole-3-carboxamideN-(S)-Fenchyl-1-(2-morpholinoethyl)-7-methoxyindole-3-carboxamideorb2814664
이름 더 보기
7-methoxy-1-(2-morpholin-4-ylethyl)-N-[(1R,3S,4S)-2,2,4-trimethyl-3-bicyclo[2.2.1]heptanyl]indole-3-carboxamide7-methoxy-1-[2-(4-morpholinyl)ethyl]-N-[(1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]hept-2-yl]-1H-indole-3-carboxamide1H-Indole-3-carboxamide, 7-methoxy-1-[2-(4-morpholinyl)ethyl]-N-[(1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]hept-2-yl]-
SCHEMBL29475480DTXSID901023636BDBM500062527-methoxy-1-[2-(morpholin-4-yl)ethyl]-N-[(1s,2s,4r)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl]-1h-indole-3-carboxamideCS-0089720T203060354569-21-47-methoxy-1-(2-morpholinoethyl)-N-[(1S,2S,4R)-1,3,3-trimethylnorbornan-2-yl]indole-3-carboxamide
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 55.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 694
물리화학적 성질
- 끓는 점
- 631.8 · 631.8±55.0 °C(Predicted)
- 밀도
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- 용해도
- 30 mg/ml; · DMF: 30 mg/ml; DMF:PBS (pH 7.2) (1:5): 0.16 mg/ml; DMSO: 20 mg/ml; Ethanol: 10 mg/ml
- 물리적 상태
- 결정성 고체
- 산도 계수 (pKa)
- 14.37 · 14.37±0.60(Predicted)
- InChIKey
- VQGDMQICNRCQEH-UFKXBGGNSA-N
- SMILES
- N1(CCN2CCOCC2)C2=C(C=CC=C2OC)C(C(N[C@@H]2C(C)(C)[C@@]3([H])C[C@]2(C)CC3)=O)=C1
화학 및 산업
응용 분야
용도MN-25, is a synthetic cannabinoid (CB) with greater affinity for the peripheral CB2 receptor (Ki = 11 nM) than for the central CB1 receptor (Ki = 245 nM). Synthetic Cannabinoids
공급사5 곳
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
Shanghai Quedan biology science and technology co., ltd+86-13004146052 · [email protected]
ChemeGen 中国18818260767 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
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