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Chemical structure of JHDM-IN-1

GC73462

JHDM-IN-1

Also known as (E)-4-[hydroxy-[4-[[4-(naphthalen-1-ylcarbamoyloxymethyl)phenyl]methylamino]butyl]amino]-4-oxobut-2-enoic acid

JHDM-IN-1 (Compound 1) is a Jumonji C domain-containing HDMs (JHDM) inhibitor with IC50s of 3·4, 4·3, 5·9, 10 and 43 μM against JMJD2C, JMJD2A, JMJD2E, PHF8 and JMJD3, respectively

ChemicalCAS1310809-17-6MW491.54FormulaC27H29N3O6
CAS number
1310809-17-6
Molecular weight
491.54
Formula
C27H29N3O6
InChIKey
FOJNYQXAAPCEPX-CCEZHUSRSA-N
Catalogue number
GC73462
Brand
GLPBIO
Computed properties PubChem CID 53392492 · XLogP 0.8 · TPSA 128 Ų · H-bond donors 4
XLogP
0.8
TPSA
128 Ų
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
13
Heavy atoms
36

SMILES C1=CC=C2C(=C1)C=CC=C2NC(=O)OCC3=CC=C(C=C3)CNCCCCN(C(=O)/C=C/C(=O)O)O

Computed descriptors from PubChem (CID 53392492), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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