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MN-25

CAT: 0931-T203060-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T203060-01Size:10 mg
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CAS Number
501926-82-5
Target
Cannabinoid Receptor, TNF
Related Pathways
Apoptosis, GPCR/G Protein
Bioactivity
MN-25 (compound 4a) is an orally active indole pyridinone that functions as a novel cannabinoid ligand. It exhibits binding affinities (Ki) of 245 nM for CB1 and 11 nM for CB2 receptors. As a CB2 agonist, MN-25 inhibits TNF-R release from human peripheral blood mononuclear cells in vitro, with an IC50 of 33 μM. However, in an acute inflammation model in mice, MN-25 did not demonstrate efficacy at oral doses up to 50 mg/kg.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
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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