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SPI-09

CAT: 0013-GTR19242119-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242119-01Size:50 mg
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Description
SPI-09 (ASP5309) is a selective hydroxysteroid dehydrogenase-1 (HSD-1) inhibitor investigated as a novel therapeutic candidate for endogenous Cushing's syndrome. Research applications include in vitro enzymatic assays and in vivo studies in rodent models of hypercortisolism to evaluate its pharmacological profile.
CAS Number
1431304-76-5
Smiles
N (C (=O) C1=CC=C (OC (C) C) C=C1) (C2CC3=C (CC2) NN=C3) C4CC4
Molecular Formula
C20H25N3O2
Molecular Weight
339.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-cyclopropyl-4-propan-2-yloxy-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
CAS Number1431304-76-5
PubChem CID71519586
IUPAC NameN-cyclopropyl-4-propan-2-yloxy-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
Molecular FormulaC20H25N3O2
Molecular Weight339.4
XLogP3.4
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity472
SMILES
CC(C)OC1=CC=C(C=C1)C(=O)N(C2CC2)C3CCC4=C(C3)C=NN4
InChI
InChI=1S/C20H25N3O2/c1-13(2)25-18-8-3-14(4-9-18)20(24)23(16-5-6-16)17-7-10-19-15(11-17)12-21-22-19/h3-4,8-9,12-13,16-17H,5-7,10-11H2,1-2H3,(H,21,22)
InChIKey
NRVCESCIBBMGRD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-cyclopropyl-4-propan-2-yloxy-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
CAS: 1431304-76-5
CID: 71519586
Formula: C20H25N3O2
MW: 339.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight339.4
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass339.19467705
Monoisotopic Mass339.19467705
Topological Polar Surface Area58.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity472
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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