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PL 017

CAT: 1410-M30590-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Selective μ opioid receptor agonist (IC50 values are 5.5 and > 10000 nM for inhibition of 125I-FK 33,824 and 125I-DADLE binding to μ and δ sites respectively) . Produces naloxone-reversible analgesia, catalepsy and hyperthermia following central administration in rats in vivo.
CAS Number
83397-56-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
535.64
Molecular Formula
C29H37N5O5
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

morphiceptin, N-Me-Phe(3)-

RN given refers to D-prolinamide, all L-isomer

CAS Number83397-56-2
PubChem CID115335
IUPAC Name(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
Molecular FormulaC29H37N5O5
Molecular Weight535.6
XLogP1.5
Topological Polar Surface Area150
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count39
Formal Charge0
Complexity885
SMILES
CN([C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@@H]2C(=O)N)C(=O)[C@@H]3CCCN3C(=O)[C@H](CC4=CC=C(C=C4)O)N
InChI
InChI=1S/C29H37N5O5/c1-32(25(18-19-7-3-2-4-8-19)29(39)33-15-5-9-23(33)26(31)36)28(38)24-10-6-16-34(24)27(37)22(30)17-20-11-13-21(35)14-12-20/h2-4,7-8,11-14,22-25,35H,5-6,9-10,15-18,30H2,1H3,(H2,31,36)/t22-,23+,24-,25-/m0/s1
InChIKey
JAKBYSTWCHUQOK-NDBXHCKUSA-N
Chemical Structure
2D Structure
2D structure of morphiceptin, N-Me-Phe(3)-
CAS: 83397-56-2
CID: 115335
Formula: C29H37N5O5
MW: 535.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight535.6
XLogP31.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass535.27946930
Monoisotopic Mass535.27946930
Topological Polar Surface Area150 Ų
Heavy Atom Count39
Formal Charge0
Complexity885
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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