기본 정보
- CAS
103429-31-8- 표준 SMILES
CC(O)C(NC(=O)C1NC(=O)C(C(C)O)NC(=O)C(CCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(N)Cc2ccccc2)CSSC1(C)C)C(N)=O- InChIKey
PZWWYAHWHHNCHO-FGHAYEPSSA-N- 분자식
- C50H67N11O11S2
- 평균 분자량
- 1,062.3 g/mol
- 단동위원소 질량
- 1,061.44629434
개요
CTOP is a cyclic peptide.
이름 및 식별자
- 우선 이름
- Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide
- IUPAC
- N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-19-[(2-amino-3-phenylpropanoyl)amino]-10-(3-aminopropyl)-7-(1-hydroxyethyl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-3,3-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
- 현지명
- 씨톱
- 영어명
- CTOP
- 분자식
- C50H67N11O11S2
- 분자량
- 1062.26
이름 및 동의어
CTOP103429-31-8Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamideRefChem:173016CTOPACtop-NH2N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-19-[(2-amino-3-phenylpropanoyl)amino]-10-(3-aminopropyl)-7-(1-hydroxyethyl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-3,3-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamideCTOP TFAFCYWXTXTCTOP?SCHEMBL1239661SCHEMBL29355620
이름 더 보기
씨톱NALTRIBENNTBthreoninamideCYS2,TYR3,ORN5,PEN7-AMIDEM.W. 1062.26 C50H67N11O11S2(Tyr3,Orn5,Pen7)-Octreotate amideCys2, Tyr3, Orn5, Pen7 amide - CTOPCTOP, mu opioid receptor antagonistDPHE-CYS-TYR-DTRP-ORN-THR-PEN-THR-OL
CHEBI:230371PZWWYAHWHHNCHO-UHFFFAOYSA-NAS-85089FP108621L-Threoninamide, D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-ornithyl-L-threonyl-3-mercapto-L-valyl-, cyclic (2-7)-disulfideC20160L000207H-D-Phe-Cys-Tyr-D-Trp-Orn-Thr-Pen-Thr-NH2 (Disulfide bond between Cys2 and Pen7)
물성
구조 계산 물성
- XLogP
- 0.5
- 극성 표면적
- 426 Ų
- 수소 결합 공여자 수
- 14
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 74
- 형식 전하
- 0
- 복잡도
- 1,930
물리화학적 성질
- 끓는 점
- 1491.2 · 1491.2±65.0 °C(Predicted)
- 밀도
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C
- 산도 계수 (pKa)
- 9.9 · 9.90±0.15(Predicted)
- 물리적 상태
- 가루
- 색상
- white
- 수용성
- 1 mg/ml · Soluble to 1 mg/ml in water
- InChIKey
- PZWWYAHWHHNCHO-FGHAYEPSSA-N
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
용도CTOP is a μ-opioid receptor antagonist which has been shown to regulate behaviour and expression in rats. An endogenous opioid peptide which may also be used in the treatment of pain through improved morphine tolerance via blocking of mTOR.
일반 설명D-Pen-Cys-Tyr-D-Trp-Orn-Thr-Pen-Thr-NH2 (CTOP) is a selective cyclic μ-opioid receptor antagonist.
공급사61 곳
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
Hangzhou Go Top Peptide Biotech0571-88211921 · [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]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
太原百利恒康生物技术有限公司19135651983 · [email protected]
LEON (NANJING) BIOTECHNOLOGY CO., LTD.15051830413 · [email protected]
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