기본 정보
- CAS
106128-89-6- 표준 SMILES
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O- InChIKey
HMHYXLVEFVGOPM-QKUYTOGTSA-N- 분자식
- C40H55N7O11S
- 평균 분자량
- 842 g/mol
- 단동위원소 질량
- 841.36802677
개요
See also: Natalizumab (annotation moved to).
이름 및 식별자
- 우선 이름
- Senktide
- IUPAC
- (3S)-4-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(3-carboxypropanoylamino)-4-oxobutanoic acid
- 현지명
- 센타이드
- 영어명
- SENKTIDE
- 분자식
- C40H55N7O11S
- 분자량
- 841.97
이름 및 동의어
Senktide106128-89-6Succinyl-6-asp-8-Me-phe-substance P (6-11)Substance P (6-11), succinyl-asp(6)-Me-phe(8)-Substance P (6-11), succinyl-aspartyl(6)-methylphenylalanine(8)-(3S)-4-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-3-[(4-hydroxy-4-oxobutanoyl)amino]-4-oxobutanoic acid(3S)-4-(((2S)-1-(((2S)-1-((2-(((2S)-1-(((2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-2-oxoethyl)amino)-1-oxo-3-phenylpropan-2-yl)-methylamino)-1-oxo-3-phenylpropan-2-yl)amino)-3-((4-hydroxy-4-oxobutanoyl)amino)-4-oxobutanoic acidRefChem:182395CHEMBL106124(5S,8S,14S,17S,20S)-14,17-Dibenzyl-5-carbamoyl-20-(carboxymethyl)-8-isobutyl-15-methyl-7,10,13,16,19,22-hexaoxo-2-thia-6,9,12,15,18,21-hexaazapentacosan-25-oic acidSuccinyl-(Asp6,N-Me-Phe8)-Substance P (6-11)(3S)-4-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(3-carboxypropanoylamino)-4-oxobutanoic acid
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 309 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 26
- 무거운 원자 수
- 59
- 형식 전하
- 0
- 복잡도
- 1,450
물리화학적 성질
- 끓는 점
- 1262.6 · 1262.6±65.0 °C(Predicted)
- 밀도
- 1.29 · 1.290±0.06 g/cm3(Predicted)
- 저장 조건
- 20 °C · −20°C
- 용해도
- 50 mg/mL · DMSO : 50 mg/mL (59.38 mM; Need ultrasonic)
- 물리적 상태
- 막의
- 산도 계수 (pKa)
- 4.23 · 4.23±0.10(Predicted)
- 색상
- 무색의
- InChIKey
- HMHYXLVEFVGOPM-QKUYTOGTSA-N
- SMILES
- S(CC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N(C)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC(=O)O)CC(=O)O)Cc2ccccc2)Cc1ccccc1)CC(C)C)C(=O)N)C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Senktide is a potent, selective agonist of the neuromedin K3 (NK3) receptor (EC50 = 0.5-3 nM). It less potently agonizes the NK1 receptor (EC50 = 35 μM) and is without effect on the NK2 receptor. Senktide is used to study the action of the NK3 receptor in cells and in animals.
공급사65 곳
成都彼样生物科技有限公司18108052721 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
南京昱盛康生物科技有限公司13327808530 · [email protected]
上海鸿肽生物科技有限公司15318089928 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
中科华药(江苏)生物科技有限公司18020125070 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
杭州思诺达医药科技有限责任公司0571-87213919 17306812703 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
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