SR142948A
기본 정보
- CAS
184162-64-9- 표준 SMILES
COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)nn1-c1ccc(C(=O)N(C)CCCN(C)C)cc1C(C)C- InChIKey
LWULHXVBLMWCHO-UHFFFAOYSA-N- 분자식
- C39H51N5O6
- 평균 분자량
- 685.9 g/mol
- 단동위원소 질량
- 685.38393435
개요
2-[[[5-(2,6-dimethoxyphenyl)-1-[4-[[3-(dimethylamino)propyl-methylamino]-oxomethyl]-2-propan-2-ylphenyl]-3-pyrazolyl]-oxomethyl]amino]-2-adamantanecarboxylic acid is a N-acyl-amino acid.
이름 및 식별자
- 우선 이름
- SR142948A
- IUPAC
- 2-[[5-(2,6-dimethoxyphenyl)-1-[4-[3-(dimethylamino)propyl-methylcarbamoyl]-2-propan-2-ylphenyl]pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid
- 영어명
- SR 142948
- 분자식
- C39H51N5O6
- 분자량
- 685.85214
이름 및 동의어
SR142948ASR 142948ASR-142948A2-((5-(2,6-dimethoxyphenyl)-1-(4-(3-dimethylaminopropyl-methylcarbamoyl)-2-propan-2-ylphenyl)pyrazole-3-carbonyl)amino)adamantane-2-carboxylic acid2-[[5-(2,6-dimethoxyphenyl)-1-[4-(3-dimethylaminopropyl-methylcarbamoyl)-2-propan-2-ylphenyl]pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acidRefChem:932143184162-64-9SR 1429482-[[5-(2,6-dimethoxyphenyl)-1-[4-[3-(dimethylamino)propyl-methylcarbamoyl]-2-propan-2-ylphenyl]pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid184162-21-8CHEMBL24311052-[[5-(2,6-dimethoxyphenyl)-1-[4-[3-(dimethylamino)propyl-methyl-carbamoyl]-2-propan-2-yl-phenyl]pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid
이름 더 보기
LWULHXVBLMWCHO-UHFFFAOYSA-Ninhibit,HT 29,Neurotensin Receptor,SR 142948,CHO cells,SR142948,SR-142948,dopamine,neurotensin,Inhibitor,psychotic disorders2-[(5-(2,6-DIMETHOXY-PHENYL)-1-(4-[(3-DIMETHYLAMINO-PROPYL)-METHYL-CARBAMOYL]-2-ISOPROPYL-PHENYL)-1H-PYRAZOLE-3-CARBONYL)-AMINO]-ADAMANTANE-2-CARBOXYLIC ACID
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 126 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 50
- 형식 전하
- 0
- 복잡도
- 1,170
물리화학적 성질
- 끓는 점
- 824.7 · 824.7±65.0 °C(Predicted)
- 밀도
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- 저장 조건
- 4 °C · Store at +4°C
- 용해도
- 75 mM · Soluble to 75 mM in DMSO and to 25 mM in water
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 3.28 · 3.28±0.20(Predicted)
- 색상
- White to off-white
화학 및 산업
응용 분야
용도SR 142948 is an antagonist of NT1/NT2 receptors inhibiting bile acid secretion. Neurotensin receptor antagonist.
관련 반응
33건
화합물 노트
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