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MP1202

CAT: 0013-GTR19264018-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19264018-01Size:10 mg
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Description
MP1202 is a dual agonist for MOR and KOR, with EC50 values of 0.32 μM for mMOR-1 and 0.13 μM for mKOR-1. It exhibits functional selectivity by reducing β-arrestin1/2 recruitment in hMOR and hKOR while significantly activating G protein and Gα subtypes. In opioid receptor subtype knockout mouse models, MP1202 demonstrates potent antinociceptive effects without typical opioid side effects, albeit it induces conditioned place preference and aversion behaviors, indicating potential for analgesic research.
CAS Number
2578974-82-8
Field of Research
Metabolism Research, Neuroscience, Pharmacology & Drug Discovery
Smiles
N (C (=O) C1=CC (I) =CC=C1) [C@H]2[C@]3 ([C@]45C=6C (O3) =C (O) C=CC6C[C@] ([C@@]4 (CC2) [H]) (N (CC7CC7) CC5) [H]) [H]
Molecular Formula
C27H29IN2O3
Molecular Weight
556.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[(4R,4aR,7R,7aR,12bS)-3-(cyclopropylmethyl)-9-hydroxy-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-iodobenzamide
CAS Number2578974-82-8
PubChem CID178203381
IUPAC NameN-[(4R,4aR,7R,7aR,12bS)-3-(cyclopropylmethyl)-9-hydroxy-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-iodobenzamide
Molecular FormulaC27H29IN2O3
Molecular Weight556.4
XLogP4.9
Topological Polar Surface Area61.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity791
SMILES
C1C[C@H]([C@H]2[C@@]34[C@@H]1[C@@H](CC5=C3C(=C(C=C5)O)O2)N(CC4)CC6CC6)NC(=O)C7=CC(=CC=C7)I
InChI
InChI=1S/C27H29IN2O3/c28-18-3-1-2-17(12-18)26(32)29-20-8-7-19-21-13-16-6-9-22(31)24-23(16)27(19,25(20)33-24)10-11-30(21)14-15-4-5-15/h1-3,6,9,12,15,19-21,25,31H,4-5,7-8,10-11,13-14H2,(H,29,32)/t19-,20+,21+,25-,27-/m0/s1
InChIKey
QRJCZMLAXUKLGX-JXGKSYOJSA-N
Chemical Structure
2D Structure
2D structure of N-[(4R,4aR,7R,7aR,12bS)-3-(cyclopropylmethyl)-9-hydroxy-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-iodobenzamide
CAS: 2578974-82-8
CID: 178203381
Formula: C27H29IN2O3
MW: 556.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight556.4
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass556.12229
Monoisotopic Mass556.12229
Topological Polar Surface Area61.8 Ų
Heavy Atom Count33
Formal Charge0
Complexity791
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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