Basic information
- CAS
103429-31-8- Standard 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- Molecular formula
- C50H67N11O11S2
- Average molar mass
- 1,062.3 g/mol
- Monoisotopic mass
- 1,061.44629434
Overview
CTOP is a cyclic peptide.
Names & identifiers
- Preferred name
- 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
- English name
- CTOP
- Molecular formula
- C50H67N11O11S2
- Molecular weight
- 1062.26
Names & synonyms
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
Show more names
NALTRIBENNTBthreoninamideCYS2,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)
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 426 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 16
- Heavy atoms
- 74
- Formal charge
- 0
- Complexity
- 1,930
Physicochemical properties
- Boiling point
- 1491.2 · 1491.2±65.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- RTECS
- 8578200 · XO8578200
- storage temp.
- -20 °C · -20°C
- pka
- 9.9 · 9.90±0.15(Predicted)
- form
- Powder
- color
- white
- Water Solubility
- 1 mg/ml · Soluble to 1 mg/ml in water
- Sequence
- 2 · {D-Phe}-Cys-Tyr-{D-Trp}-{Orn}-Thr-{Pen}-Thr-NH2 (Disulfide bridge:Cys2-Pen7)
- InChIKey
- PZWWYAHWHHNCHO-FGHAYEPSSA-N
- FDA UNII
- 5 H9PK5HEK · G5H9PK5HEK
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesCTOP 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.
UsesCTOP has been used:to study the anxiogenic effects induced by CTOP in mice and rat.to study the effect of μ-opioid antagonist, CTOP on the bovine milk-derived LF (BLF)-induced analgesia.to determine whether μ-opioid receptors act cooperatively with 5-hydroxytryptamine (5-HT1A) receptors to regulate the behaviors generated in the elevated T-maze (ETM).
General DescriptionD-Pen-Cys-Tyr-D-Trp-Orn-Thr-Pen-Thr-NH2 (CTOP) is a selective cyclic μ-opioid receptor antagonist.
Suppliers61 total
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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