morphiceptin, N-Me-Phe(3)-
Basic information
- CAS
83397-56-2- Standard SMILES
CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O- InChIKey
JAKBYSTWCHUQOK-NDBXHCKUSA-N- Molecular formula
- C29H37N5O5
- Average molar mass
- 535.6 g/mol
- Monoisotopic mass
- 535.2794693
Overview
RN given refers to D-prolinamide, all L-isomer
Names & identifiers
- Preferred name
- morphiceptin, N-Me-Phe(3)-
- IUPAC
- (2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-N-methylpyrrolidine-2-carboxamide
- English name
- PL017
- Molecular formula
- C29H37N5O5
- Molecular weight
- 535.63
Names & synonyms
83397-56-23-N-Me-Phe-morphiceptinMorphiceptin, N-Me-phe(3)-PL 17Tyr-pro-N-mephe-pro-NH2Morphiceptin, N-methylphenylalanine(3)-Tyrosyl-prolyl-N-methylphenlalanyl-prolinamideRefChem:926137PL17PL-17PL017PL 017
Show more names
TYR-PRO-(NME)PHE-DPRO-NH2[NMPhe3,D-Pro4]morphiceptinH-TYR-PRO-N-ME-PHE-D-PRO-NH2[N-ME-PHE3, D-PRO4]-MORPHICEPTINL-Tyr-L-Pro-N-Methyl-L-Phe-D-Pro-NH2[(NME)PHE3, DPRO4] MORPHICEPTIN, BOVINE[NMePhe3, DPro4] b-Casomorphin: 1-4, amide, bovine{N-METHYL-PHE3,D-PRO4}-BETA-CASOMORPHIN FRAGMENT 1-
PL-017(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-N-methylpyrrolidine-2-carboxamideCHEMBL283287Tyr-Pro-NMePhe-D-Pro-NH2YPFPL-Tyrosyl-L-prolyl-N-methyl-L-phenylalanyl-D-prolinamidePLO17PL-017 TFA salt
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 885
Physicochemical properties
- Boiling point
- 878.5 · 878.5±65.0 °C(Predicted)
- Density
- 1.313 · 1.313±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- form
- Powder
- pka
- 9.86 · 9.86±0.15(Predicted)
- Water Solubility
- 1 mg/ml · Soluble to 1 mg/ml in water
- Safety Statements
- 22 · 22-24/25
- 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
- safety_code
- 22-24/25
Chemistry & industry
Applications
UsesPL-017 is a potent and selective μ opioid receptor agonist with an IC50 of 5.5 nM for 125I-FK 33,824 binding to μ site. PL-017 produces long-lasting, reversible analgesia in rats[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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