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Chemical structure of HIF-2α-IN-3

GC62418

HIF-2α-IN-3

Also known as N-(4-chloro-3-nitrophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine

HIF-2α-IN-3, an allosteric inhibitor of hypoxia inducible factor-2α (HIF-2α), exhibits an IC50 of 0·4 μM and a KD of 1·1 μM· Anticancer agent

ChemicalCAS313964-19-1MW335.66FormulaC12H6ClN5O5
CAS number
313964-19-1
Molecular weight
335.66
Formula
C12H6ClN5O5
Solubility
DMSO ： 12·5 mg/mL (37·24 mM; Need ultrasonic)
InChIKey
PQZKMXPISWCLCU-UHFFFAOYSA-N
Catalogue number
GC62418
Brand
GLPBIO
Computed properties PubChem CID 2836622 · XLogP 3.6 · TPSA 143 Ų · H-bond donors 1
XLogP
3.6
TPSA
143 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
2
Heavy atoms
23

SMILES C1=CC(=C(C=C1NC2=C(C3=NON=C3C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl

Computed descriptors from PubChem (CID 2836622), 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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