Basic information
- CAS
106128-89-6- Standard 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- Molecular formula
- C40H55N7O11S
- Average molar mass
- 842 g/mol
- Monoisotopic mass
- 841.36802677
Overview
See also: Natalizumab (annotation moved to).
Names & identifiers
- Preferred name
- 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
- English name
- SENKTIDE
- Molecular formula
- C40H55N7O11S
- Molecular weight
- 841.97
Names & synonyms
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
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 309 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 26
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,450
Physicochemical properties
- Boiling point
- 1262.6 · 1262.6±65.0 °C(Predicted)
- Density
- 1.29 · 1.290±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- 50 mg/mL · DMSO : 50 mg/mL (59.38 mM; Need ultrasonic)
- pka
- 4.23 · 4.23±0.10(Predicted)
- form
- film
- color
- colorless
- Sequence
- 2 · Suc-Asp-Phe-{Me-Phe}-Gly-Leu-Met-NH2
- 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
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- 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
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesSenktide 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.
UsesSenktide is an NK3 agonist.
Suppliers112 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
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]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
南京昱盛康生物科技有限公司13327808530 · [email protected]
广州鸿远生物科技有限公司15817493340 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
苏州五月六进出口贸易有限公司17715515539 · [email protected]
江西瑞威尔生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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