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Chemical structure of SJM-3

GC69905

SJM-3

Also known as (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone

SJM-3 is a positive allosteric modulator of different subtypes of GABAA receptors· SJM-3 binds with high affinity to the α+/γ- subunit interface of the benzodiazepine binding site

ChemicalCAS1234977-97-9MW354.4FormulaC18H15FN4OS
CAS number
1234977-97-9
Molecular weight
354.4
Formula
C18H15FN4OS
Solubility
DMSO ： 10 mg/mL (28·22 mM; ultrasonic and warming and heat to 60°C)
InChIKey
MCMRMBOJJFVNHG-UHFFFAOYSA-N
Catalogue number
GC69905
Brand
GLPBIO
Computed properties PubChem CID 49713517 · XLogP 2.8 · TPSA 87.2 Ų · H-bond donors 0
XLogP
2.8
TPSA
87.2 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
25

SMILES CC1CCC2=C(N1C(=O)C3=CSC(=N3)C4=NC=CN=C4)C=CC(=C2)F

Computed descriptors from PubChem (CID 49713517), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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