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HIF-2α-IN-2

CAT: 0804-HY-130264-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-130264-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
HIF-2α-IN-2 is a hypoxia-inducible factors (HIF-2α) inhibitor extracted from patent WO2015035223A1, Compound 232, has an IC50 of 16 nM in scintillation proximity assay (SPA) [1].
CAS Number
1672666-82-8
UNSPSC
12352005
Target
HIF/HIF Prolyl-Hydroxylase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/hif-2-alpha-in-2.html
Concentration
10mM
Purity
99.93
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
N#CC1=CC(OC2=CC=C(S(=O)(C)=O)C3=C2CC(F)C3O)=CC(F)=C1
Molecular Formula
C17H13F2NO4S
Molecular Weight
365.35
References & Citations
[1]Darryl David DIXON, et al. Aryl ethers and uses thereof. WO2015035223A1.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

HIF-2alpha-IN-2
CAS Number1672666-82-8
PubChem CID117947105
IUPAC Name3-fluoro-5-[(2-fluoro-1-hydroxy-7-methylsulfonyl-2,3-dihydro-1H-inden-4-yl)oxy]benzonitrile
Molecular FormulaC17H13F2NO4S
Molecular Weight365.4
XLogP2.1
Topological Polar Surface Area95.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity643
SMILES
CS(=O)(=O)C1=C2C(C(CC2=C(C=C1)OC3=CC(=CC(=C3)C#N)F)F)O
InChI
InChI=1S/C17H13F2NO4S/c1-25(22,23)15-3-2-14(12-7-13(19)17(21)16(12)15)24-11-5-9(8-20)4-10(18)6-11/h2-6,13,17,21H,7H2,1H3
InChIKey
GTHLUQQEKIJSME-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of HIF-2alpha-IN-2
CAS: 1672666-82-8
CID: 117947105
Formula: C17H13F2NO4S
MW: 365.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight365.4
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass365.05333539
Monoisotopic Mass365.05333539
Topological Polar Surface Area95.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity643
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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