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Chemical structure of KDM5A-IN-1

GC32842

KDM5A-IN-1

Also known as N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide

KDM5A-IN-1 is a potent, orally bioavailable pan-histone lysine demethylases 5 (KDM5) inhibitor with IC50s of 45 nM, 56 nM and 55 nM for KDM5A, KDM5B and KDM5C, respectively, and with an EC50 value of 960 nM for PC9 H3K4Me3· KDM5A-IN-1 is significantly less potent against other KDM5B enzymes (1A, 2B, 3B, 4C, 6A, 7B)

ChemicalCAS1905481-36-8MW290.36FormulaC15H22N4O2
CAS number
1905481-36-8
Molecular weight
290.36
Formula
C15H22N4O2
Solubility
DMSO ： ≥ 50 mg/mL (172·20 mM)
InChIKey
CXEXTVGTDZRKJS-LLVKDONJSA-N
Catalogue number
GC32842
Brand
GLPBIO
Computed properties PubChem CID 119081409 · XLogP 1.1 · TPSA 78.1 Ų · H-bond donors 2
XLogP
1.1
TPSA
78.1 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
21

SMILES CC(C)C1=CC(=NN1)C(=O)N2CC[C@H](C2)NC(=O)C3CC3

Computed descriptors from PubChem (CID 119081409), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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