Substance P (6-11), pglu(6)-
Basic information
- CAS
61123-13-5- Standard SMILES
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O- InChIKey
CTTLAZLIKHEYJW-ZIUUJSQJSA-N- Molecular formula
- C36H49N7O7S
- Average molar mass
- 723.9 g/mol
- Monoisotopic mass
- 723.3414181
Overview
pyroglutamic acid deriv of the C-terminal of Substance P
Names & identifiers
- Preferred name
- Substance P (6-11), pglu(6)-
- IUPAC
- (2S)-N-[(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]amino]-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidine-2-carboxamide
- English name
- Pyr-Phe-Phe-Gly-Leu-Met-NH2
- Molecular formula
- C36H49N7O7S
- Molecular weight
- 723.88
Names & synonyms
61123-13-56-Pglu-SP(6-11)5-Oxo-pro-phe-phe-gly-leu-met-amide6-Pglu-substance P (6-11)Substance P (6-11), pglu(6)-E-SP(7-11)Substance P (6-11), pyroglutamic acid-Substance P (6-11), hexapeptide-pglu(6)-L-Methioninamide, 5-oxo-L-prolyl-L-phenylalanyl-L-phenylalanylglycyl-L-leucyl-RefChem:186287Substance P, C-terminal pentapeptide[Glp6] Substance P (6-11)
Show more names
(PYR6)-SUBSTANCE P (6-11)[PYR1]-SUBSTANCE P (6-11)Pyr-Phe-Phe-Gly-Leu-Met-NH2GLP-PHE-PHE-GLY-LEU-MET-NH2pglu6-substance P fragment 6-11SUBSTANCE P [PGLU6]-FRAGMENT 6-11Substance P, fragment 6-11, [pGlu6]
(2S)-N-[(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]amino]-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidine-2-carboxamideCHEMBL441061L-Methioninamide,5-oxo-L-prolyl-L-phenylalanyl-L-phenylalanylglycyl-L-leucyl- (9CI)5-oxo-l-prolyl-l-phenylalanyl-l-phenylalanylglycyl-l-leucyl-l-methioninamideorb1981042pGlu-Phe-Phe-Gly-Leu-Met-NH2DTXSID50976640pGlu6-Phe-Phe-Gly-Leu-Met-NH2
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 243 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 20
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,210
Physicochemical properties
- Melting point
- 227 · 227-232 °C
- Boiling point
- 1195.868 · 1195.868±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.248 · 1.248±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 13.253 · 13.253±0.20(predicted)
- WGK Germany
- 3 · 3
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
Chemistry & industry
Applications
Uses[Glp6] Substance P (6-11) is an analogue of substance P (6-11). Substance P (6-11) stimulates [3H]-inositol monophosphate ([3H]-IP1) formation in rat urinary bladder by acting on the 'septide-sensitive' tachykinin receptors[1][2].
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Compound notes
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