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Chemical structure of MAGL-IN-4

GC63055

MAGL-IN-4

Also known as 2-[3-[(3-chloro-4-methylphenyl)methoxy]azetidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one

MAGL-IN-4 is an orally active, selective and reversible monoacylglycerol lipase (MAGL) inhibitor with an IC50 of 6·2 nM

ChemicalCAS2135785-20-3MW364.82FormulaC18H21ClN2O4
CAS number
2135785-20-3
Molecular weight
364.82
Formula
C18H21ClN2O4
Solubility
DMSO ： 100 mg/mL (274·11 mM; Need ultrasonic)
InChIKey
AKBHYCHPWZPGAH-UHFFFAOYSA-N
Catalogue number
GC63055
Brand
GLPBIO
Computed properties PubChem CID 130475870 · XLogP 1.7 · TPSA 67.9 Ų · H-bond donors 1
XLogP
1.7
TPSA
67.9 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
25

SMILES CC1=C(C=C(C=C1)COC2CN(C2)C(=O)C3CC4(C3)COC(=O)N4)Cl

Computed descriptors from PubChem (CID 130475870), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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