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Chemical structure of PT2399

GC65333

PT2399

Also known as 3-[[(1S)-7-(difluoromethylsulfonyl)-2,2-difluoro-1-hydroxy-1,3-dihydroinden-4-yl]oxy]-5-fluorobenzonitrile

PT2399 is a potent and selective HIF-2α antagonist, which directly binds to HIF-2α PAS B domain with an IC50 of 6 nM· PT2399 displays potent antitumor activity in vivo

ChemicalCAS1672662-14-4MW419.32FormulaC17H10F5NO4S
CAS number
1672662-14-4
Molecular weight
419.32
Formula
C17H10F5NO4S
Solubility
DMSO ： ≥ 200 mg/mL (476·96 mM)
InChIKey
MXUSGDMIHGLCNC-HNNXBMFYSA-N
Catalogue number
GC65333
Brand
GLPBIO
Computed properties PubChem CID 91663289 · XLogP 3.3 · TPSA 95.8 Ų · H-bond donors 1
XLogP
3.3
TPSA
95.8 Ų
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
4
Heavy atoms
28

SMILES C1C2=C(C=CC(=C2[C@@H](C1(F)F)O)S(=O)(=O)C(F)F)OC3=CC(=CC(=C3)C#N)F

Computed descriptors from PubChem (CID 91663289), 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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