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CAY10762

CAT: 0931-T36498-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T36498-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2514-37-6
Target
Others, Endogenous Metabolite
Related Pathways
Others, Metabolism
Bioactivity
CAY10762 is an inhibitor of monoacylglycerol lipase (MAGL; IC50= 34.1 nM) that reduces hydrogen peroxide-induced lactate dehydrogenase (LDH) release from Neuro2a cells at a concentration of 1 μM and increases levels of 2-arachidonoyl glycerol in mouse brain at 10 mg/kg.
Smiles
O=C1C=2C(SN1CCC3=CC=CC=C3)=CC=CC2
Molecular Formula
C15H13NOS
Molecular Weight
255.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Phenethyl-1,2-benzisothiazol-3(2H)-one
CAS Number2514-37-6
PubChem CID9795048
IUPAC Name2-(2-phenylethyl)-1,2-benzothiazol-3-one
Molecular FormulaC15H13NOS
Molecular Weight255.3
XLogP3.4
Topological Polar Surface Area45.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity301
SMILES
C1=CC=C(C=C1)CCN2C(=O)C3=CC=CC=C3S2
InChI
InChI=1S/C15H13NOS/c17-15-13-8-4-5-9-14(13)18-16(15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKey
VUMUTUGUKRGYGW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Phenethyl-1,2-benzisothiazol-3(2H)-one
CAS: 2514-37-6
CID: 9795048
Formula: C15H13NOS
MW: 255.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight255.3
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass255.07178521
Monoisotopic Mass255.07178521
Topological Polar Surface Area45.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity301
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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CatalogName
462148CAY10762

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