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Chemical structure of DDP-38003 dihydrochloride

GC33013

DDP-38003 dihydrochloride

Also known as N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-4-(4-methylpiperazin-1-yl)benzamide;dihydrochloride

DDP-38003 dihydrochloride is an novel, orally available inhibitor of histone lysine-specific demethylase 1A (KDM1A/LSD1) with an IC50 of 84 nM

ChemicalCAS1831167-98-6MW423.38FormulaC21H28Cl2N4O
CAS number
1831167-98-6
Molecular weight
423.38
Formula
C21H28Cl2N4O
Solubility
DMSO ： ≥ 29 mg/mL (68·50 mM)
InChIKey
HFSFENIQYFFMGC-HUQPAIQZSA-N
Catalogue number
GC33013
Brand
GLPBIO
Computed properties PubChem CID 102004295 · TPSA 61.6 Ų · H-bond donors 4 · H-bond acceptors 4
TPSA
61.6 Ų
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
28

SMILES CN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)[C@@H]4C[C@H]4N.Cl.Cl

Computed descriptors from PubChem (CID 102004295), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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