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Chemical structure of CB1/2 agonist 1

GC71002

CB1/2 agonist 1

Also known as 5-bromo-N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide

CB1/2 agonist 1 is a potent and cross the blood-brain barrier CB1/2 agonist with EC50s of 56·15, 11·63 nM for CB1R and CB2R, respectively

ChemicalCAS2986688-90-6MW435.33FormulaC21H24BrFN2O2
CAS number
2986688-90-6
Molecular weight
435.33
Formula
C21H24BrFN2O2
Solubility
DMSO : 20 mg/mL (45·94 mM; ultrasonic and warming and heat to 70°C; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
IBDOGMBSQPMZKN-UHFFFAOYSA-N
Catalogue number
GC71002
Brand
GLPBIO
Computed properties PubChem CID 162654853 · XLogP 4.6 · TPSA 49.4 Ų · H-bond donors 1
XLogP
4.6
TPSA
49.4 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
27

SMILES CC1=C(C=C(C(=O)N1CC2=CC=C(C=C2)F)C(=O)NC3CCCCCC3)Br

Computed descriptors from PubChem (CID 162654853), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Pricing
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Documents
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