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ASM-IN-3

CAT: 0013-GTR19240959-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240959-02Size:10 mg
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Description
ASM-IN-3 (Compound 21b) is a brain-penetrant, selective acid sphingomyelinase (ASM) inhibitor with an IC50 of 3.37 μM against the human enzyme. It demonstrates in vivo efficacy by reducing depressive-like behaviors in a reserpine-induced rat model, linked to hippocampal ASM inhibition and enhanced neurogenesis, supporting its use in neuroscience research.
CAS Number
2342576-75-2
Field of Research
Metabolism Research
Smiles
O=C (NO) C=1ON=C (OCC2=CC=C (C=C2) C=3C=CC (Cl) =CC3) C1
Molecular Formula
C17H13ClN2O4
Molecular Weight
344.75
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-((4'-Chloro-[1,1'-biphenyl]-4-yl)methoxy)-N-hydroxyisoxazole-5-carboxamide
CAS Number2342576-75-2
PubChem CID145996535
IUPAC Name3-[[4-(4-chlorophenyl)phenyl]methoxy]-N-hydroxy-1,2-oxazole-5-carboxamide
Molecular FormulaC17H13ClN2O4
Molecular Weight344.7
XLogP3.5
Topological Polar Surface Area84.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity409
SMILES
C1=CC(=CC=C1COC2=NOC(=C2)C(=O)NO)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H13ClN2O4/c18-14-7-5-13(6-8-14)12-3-1-11(2-4-12)10-23-16-9-15(24-20-16)17(21)19-22/h1-9,22H,10H2,(H,19,21)
InChIKey
XZENCCSBEQTERZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-((4'-Chloro-[1,1'-biphenyl]-4-yl)methoxy)-N-hydroxyisoxazole-5-carboxamide
CAS: 2342576-75-2
CID: 145996535
Formula: C17H13ClN2O4
MW: 344.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.7
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass344.0563846
Monoisotopic Mass344.0563846
Topological Polar Surface Area84.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity409
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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