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HIF-2α-IN-12

CAT: 0804-HY-163599Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-163599Size:1 Each
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Description
HIF-2α-IN-12 (9) is a HIF-2α inhibitor, with an IC50 of 0.9 μM[1].
CAS Number
3034488-33-7
UNSPSC
12352005
Target
HIF/HIF Prolyl-Hydroxylase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/hif-2α-in-12.html
Smiles
N#CC1=CC(F)=CC(NC(N2CC(F)(C(C23CCCC3)O)F)=S)=C1
Molecular Formula
C16H16F3N3OS
Molecular Weight
355.38
References & Citations
[1]Zhiguo Liu, et al. Saturated ring derivative, pharmaceutical composition comprising same, and pharmaceutical use thereof. Patent. WO2024067566A1.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Hif-2|A-IN-12
CAS Number3034488-33-7
PubChem CID171714330
IUPAC NameN-(3-cyano-5-fluorophenyl)-3,3-difluoro-4-hydroxy-1-azaspiro[4.4]nonane-1-carbothioamide
Molecular FormulaC16H16F3N3OS
Molecular Weight355.4
XLogP2.4
Topological Polar Surface Area91.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity558
SMILES
C1CCC2(C1)C(C(CN2C(=S)NC3=CC(=CC(=C3)C#N)F)(F)F)O
InChI
InChI=1S/C16H16F3N3OS/c17-11-5-10(8-20)6-12(7-11)21-14(24)22-9-16(18,19)13(23)15(22)3-1-2-4-15/h5-7,13,23H,1-4,9H2,(H,21,24)
InChIKey
GNDGGINSWHHCHE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hif-2|A-IN-12
CAS: 3034488-33-7
CID: 171714330
Formula: C16H16F3N3OS
MW: 355.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.4
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass355.09661780
Monoisotopic Mass355.09661780
Topological Polar Surface Area91.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity558
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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