기본 정보
- CAS
130332-27-3- 표준 SMILES
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1- InChIKey
FVQSSYMRZKLFDR-ZABPBAJSSA-N- 분자식
- C35H42N4O6
- 평균 분자량
- 614.7 g/mol
- 단동위원소 질량
- 614.31043507
이름 및 식별자
- 우선 이름
- Ci-988
- IUPAC
- 4-[[(1R)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid
- 영어명
- 4-[[(1R)-2-[[(2R)-3-(1H-Indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid
- 분자식
- C35H42N4O6
- 분자량
- 614.73
이름 및 동의어
CI-988CI 988PD-1343084-[[(1R)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid2637PDX9SIUNII-2637PDX9SICI9884-[[(1R)-2-[[(2R)-3-(1H-Indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxobutanoic AcidPD-134,308Butanoic acid, 4-(((1R)-2-(((2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-2-(((tricyclo(3.3.1.1(3,7))dec-2-yloxy)carbonyl)amino)propyl)amino)-1-phenylethyl)amino)-4-oxo-4-(((1R)-2-(((2R)-3-(1H-INDOL-3-YL)-2-METHYL-1-OXO-2-(((TRICYCLO(3.3.1.13,7)DEC-2-YLOXY)CARBONYL)AMINO)PROPYL)AMINO)-1-PHENYLETHYL)AMINO)-4-OXOBUTANOIC ACIDBUTANOIC ACID, 4-(((1R)-2-(((2R)-3-(1H-INDOL-3-YL)-2-METHYL-1-OXO-2-(((TRICYCLE(3.3.1.13,7)DEC-2-YLOXY)CARBONYL)AMINO)PROPYL)AMINO)-1-PHENYLETHYL)AMINO)-4-OXO-
이름 더 보기
[R-(R*,R*)]-4-[[2-[[3-(1H-Indol-3-yl)-2-Methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-Butanoic acid, 4-[[(1R)-2-[[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxo-
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 150 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 1,070
물리화학적 성질
- 저장 조건
- 4 °C · Store at +4°C
- 용해도
- 100 mM · Soluble to 100 mM in DMSO
- 물리적 상태
- 가루
화학 및 산업
응용 분야
용도CI-988 is a potent and selective cholecystokinin 2 (CCK-2) receptor antagonist that displays ~ 1600-fold selectivity over CCK1 receptors and has negligible affinity at other binding sites. CI-988 exhibits anxiolytic activity following oral administration. CI-98 inhibited the proliferation of small cell lung cancer (SCLC) cells in mice.
공급사14 곳
Aladdin Scientific[email protected]
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上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
BOC Sciences[email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
常州翔龙医药科技有限公司18661161657 · [email protected]
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