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ASP3662

CAT: 1410-M10745-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M10745-04Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ASP3662 is a potent, selective, CNS-penetrable and orally active inhibitor of 11β-HSD1 with Ki of 5.3, 2.6 and 23 nM for human, mouse and rat 11β-HSD1.
CAS Number
1204178-50-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
424.808
Molecular Formula
C19H16ClF3N4O2
Notes
Research use only, not for human use.
Receptor
11β-HSD

Chemical Information

Clofutriben

Clofutriben is a small molecule drug. Clofutriben is under investigation in clinical trial NCT05307328 (SPI-62 as a Treatment for Adrenocorticotropic Hormone-dependent Cushing's Syndrome). Clofutriben has a monoisotopic molecular weight of 424.09 Da.

CAS Number1204178-50-6
PubChem CID44598960
IUPAC Name4-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-3-fluorobenzamide
Molecular FormulaC19H16ClF3N4O2
Molecular Weight424.8
XLogP3
Topological Polar Surface Area83
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity590
SMILES
CC(C)(C1=NN=C(N1C)C2=C(C=C(C=C2)C(=O)N)F)OC3=C(C=C(C=C3F)Cl)F
InChI
InChI=1S/C19H16ClF3N4O2/c1-19(2,29-15-13(22)7-10(20)8-14(15)23)18-26-25-17(27(18)3)11-5-4-9(16(24)28)6-12(11)21/h4-8H,1-3H3,(H2,24,28)
InChIKey
CMQOKZCYVZFZLZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Clofutriben
CAS: 1204178-50-6
CID: 44598960
Formula: C19H16ClF3N4O2
MW: 424.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.8
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass424.0913879
Monoisotopic Mass424.0913879
Topological Polar Surface Area83 Ų
Heavy Atom Count29
Formal Charge0
Complexity590
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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