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Setafrastat

CAT: 0013-GTR19196514-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196514-02Size:50 mg
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Description
Setafrastat is a small molecule that functions as a VEGF promoter and rotamase inhibitor. It is utilized in research to study angiogenesis and immunophilin-related pathways in both cellular and animal models.
CAS Number
1399715-48-0
Field of Research
Cell Biology, Immunology & Inflammation
Smiles
C (C (F) (F) C1 (O) CC (C) (C) CC (C) (C) C1) (=O) N2[C@@H] (CCC2) C=3C=C (COC=4C=CC=NC4) ON3
Molecular Formula
C25H33F2N3O4
Molecular Weight
477.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Setafrastat

Setafrastat is a small molecule drug. Setafrastat has a monoisotopic molecular weight of 477.24 Da.

CAS Number1399715-48-0
PubChem CID73672050
IUPAC Name2,2-difluoro-2-(1-hydroxy-3,3,5,5-tetramethylcyclohexyl)-1-[(2S)-2-[5-(pyridin-3-yloxymethyl)-1,2-oxazol-3-yl]pyrrolidin-1-yl]ethanone
Molecular FormulaC25H33F2N3O4
Molecular Weight477.5
XLogP4.5
Topological Polar Surface Area88.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity732
SMILES
CC1(CC(CC(C1)(C(C(=O)N2CCC[C@H]2C3=NOC(=C3)COC4=CN=CC=C4)(F)F)O)(C)C)C
InChI
InChI=1S/C25H33F2N3O4/c1-22(2)14-23(3,4)16-24(32,15-22)25(26,27)21(31)30-10-6-8-20(30)19-11-18(34-29-19)13-33-17-7-5-9-28-12-17/h5,7,9,11-12,20,32H,6,8,10,13-16H2,1-4H3/t20-/m0/s1
InChIKey
CSZFOLMDHFDLLR-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of Setafrastat
CAS: 1399715-48-0
CID: 73672050
Formula: C25H33F2N3O4
MW: 477.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight477.5
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass477.24391287
Monoisotopic Mass477.24391287
Topological Polar Surface Area88.7 Ų
Heavy Atom Count34
Formal Charge0
Complexity732
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
T28760-01Setafrastat

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