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THS-044

CAT: 1410-M15349-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M15349-02Size:5 mg
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Description
THS-044 is a low micromolar HIF2α PAS-B binding compound (Kd=2 uM) .
CAS Number
62054-67-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
291.2265
Molecular Formula
C11H12F3N3O3
Notes
Research use only, not for human use.
Receptor
HIF/HIF Prolyl-hydroxylase

Chemical Information

N-[2-Nitro-4-(Trifluoromethyl)phenyl]morpholin-4-Amine
CAS Number62054-67-5
PubChem CID12318718
IUPAC NameN-[2-nitro-4-(trifluoromethyl)phenyl]morpholin-4-amine
Molecular FormulaC11H12F3N3O3
Molecular Weight291.23
XLogP3
Topological Polar Surface Area70.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity342
SMILES
C1COCCN1NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C11H12F3N3O3/c12-11(13,14)8-1-2-9(10(7-8)17(18)19)15-16-3-5-20-6-4-16/h1-2,7,15H,3-6H2
InChIKey
XUPDNGHJBHPAKD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[2-Nitro-4-(Trifluoromethyl)phenyl]morpholin-4-Amine
CAS: 62054-67-5
CID: 12318718
Formula: C11H12F3N3O3
MW: 291.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight291.23
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass291.08307574
Monoisotopic Mass291.08307574
Topological Polar Surface Area70.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity342
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A20712-10THS-044 10mg
A20712-1THS-044 1mg
A20712-100THS-044 100mg
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