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MN-25

CAT: 0013-GTR19241780-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241780-01Size:1 mg
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Description
MN-25 (compound 4a) is an orally bioavailable indole pyridinone acting as a novel cannabinoid receptor ligand, with a binding preference for CB2 (Ki=11 nM) over CB1. It functions as a CB2 agonist, inhibiting TNF-α release in vitro (IC50=33 μM), though it showed no efficacy in a murine acute inflammation model at 50 mg/kg orally. This compound is a research tool for studying CB2 receptor pharmacology in immunomodulation and inflammation.
CAS Number
501926-82-5
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Smiles
C (CN1CCOCC1) N2C=3C (C (C (N[C@H]4[C@]5 (C) C[C@] (C4 (C) C) (CC5) [H]) =O) =C2) =CC=CC3OC
Molecular Formula
C26H37N3O3
Molecular Weight
439.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

7-Methoxy-1-(2-morpholinoethyl)-N-((1S,4R)-1,3,3-trimethylbicyclo(2.2.1)heptan-2-yl)-1H-indole-3-carboxamide
CAS Number501926-82-5
PubChem CID71308243
IUPAC Name7-methoxy-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide
Molecular FormulaC26H37N3O3
Molecular Weight439.6
XLogP3.8
Topological Polar Surface Area55.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity694
SMILES
C[C@]12CC[C@H](C1)C([C@H]2NC(=O)C3=CN(C4=C3C=CC=C4OC)CCN5CCOCC5)(C)C
InChI
InChI=1S/C26H37N3O3/c1-25(2)18-8-9-26(3,16-18)24(25)27-23(30)20-17-29(11-10-28-12-14-32-15-13-28)22-19(20)6-5-7-21(22)31-4/h5-7,17-18,24H,8-16H2,1-4H3,(H,27,30)/t18-,24-,26+/m1/s1
InChIKey
VQGDMQICNRCQEH-UFKXBGGNSA-N
Chemical Structure
2D Structure
2D structure of 7-Methoxy-1-(2-morpholinoethyl)-N-((1S,4R)-1,3,3-trimethylbicyclo(2.2.1)heptan-2-yl)-1H-indole-3-carboxamide
CAS: 501926-82-5
CID: 71308243
Formula: C26H37N3O3
MW: 439.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.6
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass439.28349205
Monoisotopic Mass439.28349205
Topological Polar Surface Area55.7 Ų
Heavy Atom Count32
Formal Charge0
Complexity694
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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