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Chemical structure of DS-9300

GC73397

DS-9300

Also known as (2R,4R)-1-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide

DS-9300 is a potent, orally active, selective EP300/CBP HAT inhibitor with an IC50 value of 28 nM

ChemicalCAS2259641-46-6MW501.5FormulaC25H26F3N5O3
CAS number
2259641-46-6
Molecular weight
501.5
Formula
C25H26F3N5O3
Solubility
DMSO ： ≥ 125 mg/mL (249·25 mM)
InChIKey
UCKDTCZSOLMOMQ-OXQOHEQNSA-N
Catalogue number
GC73397
Brand
GLPBIO
Computed properties PubChem CID 142503996 · XLogP 3.5 · TPSA 100 Ų · H-bond donors 2
XLogP
3.5
TPSA
100 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
36

SMILES COC1=CC=C(C=C1)C2(CCC(CC2)(F)F)C(=O)N3C[C@@H](C[C@@H]3C(=O)NC4=NC5=C(C=C4)NN=C5)F

Computed descriptors from PubChem (CID 142503996), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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