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HIF-2α-IN-11

CAT: 0931-T88241-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T88241-01Size:25 mg
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CAS Number
3034589-50-6
Target
HIF/HIF Prolyl-Hydroxylase
Related Pathways
Chromatin/Epigenetic, Metabolism
Bioactivity
HIF-2α-IN-11 (1) serves as a potent inhibitor of HIF-2α, exhibiting an IC 50 value of 59.2 nM.
Smiles
S(C(F)(F)F)(=O)(=O)C1=C2C(=C(C=C1)[C@@H]3C=4C(=CC(F)=CC4F)CCCC3)C[C@@H](F)[C@H]2O
Molecular Formula
C21H18F6O3S
Molecular Weight
464.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Hif-2|A-IN-11
CAS Number3034589-50-6
PubChem CID171714329
IUPAC Name(1S,2R)-4-[(5R)-2,4-difluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-2-fluoro-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol
Molecular FormulaC21H18F6O3S
Molecular Weight464.4
XLogP5.5
Topological Polar Surface Area62.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count31
Formal Charge0
Complexity753
SMILES
C1CCC2=C([C@H](C1)C3=C4C[C@H]([C@H](C4=C(C=C3)S(=O)(=O)C(F)(F)F)O)F)C(=CC(=C2)F)F
InChI
InChI=1S/C21H18F6O3S/c22-11-7-10-3-1-2-4-13(18(10)15(23)8-11)12-5-6-17(31(29,30)21(25,26)27)19-14(12)9-16(24)20(19)28/h5-8,13,16,20,28H,1-4,9H2/t13-,16-,20-/m1/s1
InChIKey
ATKXORIKCDITGR-OWDMVUQNSA-N
Chemical Structure
2D Structure
2D structure of Hif-2|A-IN-11
CAS: 3034589-50-6
CID: 171714329
Formula: C21H18F6O3S
MW: 464.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight464.4
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass464.08808458
Monoisotopic Mass464.08808458
Topological Polar Surface Area62.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity753
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes