SR142948A

HCID 5311451CAS 184162-64-9

기본 정보

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 ACIDTRICYCLO[3.3.1.13,7]DECANE-2-CARBOXYLIC ACID, 2-[[[5-(2,6-DIMETHOXYPHENYL)-1-[4-[[[3-(DIMETHYLAMINO)PROPYL]METHYLAMINO]CARBONYL]-2-(1-METHYLETHYL)PHENYL]-1H-PYRAZOL-3-YL]CARBONYL]AMINO]-
SR-1429482-(((5-(2,6-Dimethoxyphenyl)-1-(4-(((3-(dimethylamino)propyl)methylamino)carbonyl)-2-(1-methylethyl)phenyl)-1H-pyrazol-3-yl)carbonyl)amino)tricyclo(3.3.1.13,7)decane-2-carboxylic acid2-[[[5-(2,6-Dimethoxyphenyl)-1-[4-[[[3-(dimethylamino)propyl]methylamino]carbonyl]-2-(1-methylethyl)phenyl]-1H-pyrazol-3-yl]carbonyl]amino]tricyclo[3.3.1.13,7]decane-2-carboxylic acid184162-64-9 (free base)2-[[[5-(2,6-DIMETHOXYPHENYL)-1-[4-[[[3-(DIMETHYLAMINO)PROPYL]METHYLAMINO]CARBONYL]-2-(1-METHYLETHYL)PHENYL]-1H-PYRAZOL-3-YL]CARBONYL]AMINO]-TRICYCLO[3.3.1.13,7]DECANE-2-CARBOXYLIC ACIDSR 142948 hydrateW59C8B2MZSGTPL1580

데이터베이스 식별자

CAS
184162-64-9
PubChem CID
5311451
DTXSID
DTXSID50415529
ChEMBL
CHEMBL2431105、CHEMBL3040381
ChEBI
CHEBI:93589
UNII
W59C8B2MZS
Nikkaji
J822.698I

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

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)

화학 및 산업

응용 분야

용도SR 142948 is an antagonist of NT1/NT2 receptors inhibiting bile acid secretion. Neurotensin receptor antagonist.

공급사15 곳

上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
金瓯生物医药(南京)有限公司13000000000 · [email protected]

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33건

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