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ML-191

CAT: 0013-GTR19173987-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19173987-01Size:5 mg
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Description
ML-191 is a small molecule inhibitor that specifically blocks lysophosphatidylinositol (LPI) -mediated activation of ERK1/2 signaling. This compound is a valuable research tool for studying LPI-GPR55 pathway biology in both cellular and animal models of cancer and metabolic disorders.
CAS Number
931695-79-3
Product Name Alternative
CID23612552, CID-23612552, CID 23612552, inhibit, ML191, ML-191, ML 191, Inhibitor, GPR55, ERK2, ERK1, G protein-coupled receptor 55
Field of Research
Pharmacology & Drug Discovery, Signal Transduction
Purity
99.58% (May vary between batches)
Solubility
DMSO:55 mg/mL (136.32 mM)
Smiles
Cc1ccc (cc1) C1 (CC1) C (=O) N1CCC (CC1) n1nc (oc1=O) -c1ccccc1
Molecular Formula
C24H25N3O3
Molecular Weight
403.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-[1-[[1-(4-Methylphenyl)cyclopropyl]-oxomethyl]-4-piperidinyl]-5-phenyl-1,3,4-oxadiazol-2-one

3-[1-[[1-(4-methylphenyl)cyclopropyl]-oxomethyl]-4-piperidinyl]-5-phenyl-1,3,4-oxadiazol-2-one is a member of acetamides.

CAS Number931695-79-3
PubChem CID23612552
IUPAC Name3-[1-[1-(4-methylphenyl)cyclopropanecarbonyl]piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one
Molecular FormulaC24H25N3O3
Molecular Weight403.5
XLogP4
Topological Polar Surface Area62.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity694
SMILES
CC1=CC=C(C=C1)C2(CC2)C(=O)N3CCC(CC3)N4C(=O)OC(=N4)C5=CC=CC=C5
InChI
InChI=1S/C24H25N3O3/c1-17-7-9-19(10-8-17)24(13-14-24)22(28)26-15-11-20(12-16-26)27-23(29)30-21(25-27)18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3
InChIKey
WWJKJCDOYFKZBJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[1-[[1-(4-Methylphenyl)cyclopropyl]-oxomethyl]-4-piperidinyl]-5-phenyl-1,3,4-oxadiazol-2-one
CAS: 931695-79-3
CID: 23612552
Formula: C24H25N3O3
MW: 403.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.5
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass403.18959167
Monoisotopic Mass403.18959167
Topological Polar Surface Area62.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity694
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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