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Chemical structure of JJH260

GC43928

JJH260

Also known as [7-[4-(dimethylamino)benzoyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate

JJH260 is an N-hydroxy hydantoin carbamate that inhibits androgen-induced gene 1 (AIG1), an enzyme that hydrolyzes fatty acid esters of hydroxy fatty acids (FAHFAs)

ChemicalCAS1831135-30-8MW568.1FormulaC29H34ClN5O5
CAS number
1831135-30-8
Molecular weight
568.1
Formula
C29H34ClN5O5
Solubility
DMF： 1 mg/ml,DMF：PBS(pH7·2) (1：2)： 0·33 mg/ml
InChIKey
RISSJZZMOJQTIN-UHFFFAOYSA-N
Catalogue number
GC43928
Brand
GLPBIO
Computed properties PubChem CID 71710928 · XLogP 4.4 · TPSA 93.7 Ų · H-bond donors 0
XLogP
4.4
TPSA
93.7 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
40

SMILES CN(C)C1=CC=C(C=C1)C(=O)N2CCN3C(C2)C(=O)N(C3=O)OC(=O)N4CCC(CC4)CCC5=CC=C(C=C5)Cl

Computed descriptors from PubChem (CID 71710928), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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