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Chemical structure of JQKD82 (hydrochloride)

GC92037

JQKD82 (hydrochloride)

Also known as [2,4-di(propan-2-yloxy)phenyl] 2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxylate;trihydrochloride

JQKD82 is a prodrug form of KDM5-C49, an inhibitor of Jumonji AT-rich interactive domain 1A (JARID1A), also known as lysine-specific demethylase 5A (KDM5A)

ChemicalCAS2863676-87-1MW610FormulaC27H40N4O5 ? 3HCl
CAS number
2863676-87-1
Molecular weight
610
Formula
C27H40N4O5 ? 3HCl
Solubility
DMSO： Sparingy soluble： 1–10 mg/ml,PBS (pH 7·2)： Soluble： ≥10 mg/ml
InChIKey
VSTHCFWHQMJPDZ-UHFFFAOYSA-N
Catalogue number
GC92037
Brand
GLPBIO
Computed properties PubChem CID 164516808 · TPSA 93.2 Ų · H-bond donors 4 · H-bond acceptors 8
TPSA
93.2 Ų
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
15
Heavy atoms
39

SMILES CCN(CCN(C)C)C(=O)CNCC1=NC=CC(=C1)C(=O)OC2=C(C=C(C=C2)OC(C)C)OC(C)C.Cl.Cl.Cl

Computed descriptors from PubChem (CID 164516808), 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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