MOR modulator-1

CAT: 0931-T204644-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T204644-02Size:50 mg

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CAS Number

2976336-81-7

Target

Opioid Receptor

Related Pathways

Neuroscience, GPCR/G Protein, Endocrinology/Hormones

Bioactivity

MOR modulator-1 (compound 6) is a potent and selective modulator of the μ opioid receptor (MOR) . Compared to NAT (6α-configuration), MOR modulator-1 demonstrates improved opioid receptor selectivity, enhanced antagonistic effects in vivo, and overall reduced withdrawal symptoms. It connects to the μ, δ, and γ receptors with carboxamide linkers, showing Ki values of 0.25, 41.1, and 1.30 nM respectively.

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

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

MOR modulator-1

CAS Number	2976336-81-7
PubChem CID	172677423
IUPAC Name	N-[(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 Formula	C24H27N3O4S
Molecular Weight	453.6
XLogP	0.7
Topological Polar Surface Area	123
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	32
Formal Charge	0
Complexity	797

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

CAS: 2976336-81-7

CID: 172677423

Formula: C24H27N3O4S

MW: 453.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	453.6
XLogP3	0.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	453.17222752
Monoisotopic Mass	453.17222752
Topological Polar Surface Area	123 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	797
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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MOR modulator-1

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