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ASM-IN-3

CAT: 0931-T203687-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T203687-01Size:10 mg
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CAS Number
2342576-75-2
Target
Phospholipase
Related Pathways
Metabolism
Bioactivity
ASM-IN-3 (Compound 21b) is a selective acid sphingomyelinase (ASM) inhibitor that can penetrate the blood-brain barrier, with an IC50 of 3.37 μM against purified human ASM. By inhibiting ASM activity in the hippocampus and promoting neurogenesis, ASM-IN-3 alleviates depressive-like behavior in reserpine-induced depressive rats.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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Alternative Products

CatalogName
HY-171033ASM-IN-3
GTR17962806Asm-3 Antibody
MBS1417807Recombinant Caenorhabditis elegans Putative sphingomyelin phosphodiesterase asm-3 (asm-3), partial
TRC-D493430-500MGASM-DNT
HY-149120-01ASM-IN-1
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