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MOR modulator-1

CAT: 0013-GTR19250022-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19250022-01Size:50 mg
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Description
MOR modulator-1 (compound 6) is a potent and selective μ opioid receptor (MOR) antagonist with Ki values of 0.25, 41.1, and 1.30 nM for μ, δ, and κ receptors, respectively. It demonstrates superior selectivity and reduced withdrawal effects compared to NAT, making it a valuable tool for in vivo behavioral studies and in vitro receptor binding assays in opioid research.
CAS Number
2976336-81-7
Field of Research
Metabolism Research, Neuroscience, Pharmacology & Drug Discovery
Smiles
O[C@]12[C@@]34C=5C (O[C@]3 ([C@@H] (NC (=O) C6=NC=CS6) CC1) [H]) =C (O) C=CC5C[C@]2 (N (CC7CC7) CC4) [H]
Molecular Formula
C24H27N3O4S
Molecular Weight
453.554
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

MOR modulator-1
CAS Number2976336-81-7
PubChem CID172677423
IUPAC NameN-[(4R,4aS,7S,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-1,3-thiazole-2-carboxamide
Molecular FormulaC24H27N3O4S
Molecular Weight453.6
XLogP0.7
Topological Polar Surface Area123
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity797
SMILES
C1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3CC6CC6)[C@H]([C@H]1NC(=O)C7=NC=CS7)OC5=C(C=C4)O)O
InChI
InChI=1S/C24H27N3O4S/c28-16-4-3-14-11-17-24(30)6-5-15(26-21(29)22-25-8-10-32-22)20-23(24,18(14)19(16)31-20)7-9-27(17)12-13-1-2-13/h3-4,8,10,13,15,17,20,28,30H,1-2,5-7,9,11-12H2,(H,26,29)/t15-,17+,20-,23-,24+/m0/s1
InChIKey
QTKDLJYUAQLVIJ-AWLXNZOLSA-N
Chemical Structure
2D Structure
2D structure of MOR modulator-1
CAS: 2976336-81-7
CID: 172677423
Formula: C24H27N3O4S
MW: 453.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.6
XLogP30.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass453.17222752
Monoisotopic Mass453.17222752
Topological Polar Surface Area123 Ų
Heavy Atom Count32
Formal Charge0
Complexity797
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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