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CAY10486

CAT: 0931-T36549-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T36549-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
615264-52-3
Target
Others, Acyltransferase
Related Pathways
Metabolism, Others
Bioactivity
Acyl-Coenzyme A: cholesterol acyltransferase-1 and -2 (ACAT-1 and ACAT-2) catalyze the formation of cholesterol esters from cholesterol and long chain fatty acyl-coenzyme A, and may play a role in the development of atherosclerosis. CAY10486 inhibits human ACAT-1 and ACAT-2 equally with an IC50 value of approximately 60 μM. It also inhibits copper-mediated oxidation of low density lipoproteins by about 28% at a concentration of 3 μM.
Smiles
[C@@H](CC1=CC=CC=C1)(NC(C=CC2=CC=C(O)C=C2)=O)C(OC)=O
Molecular Formula
C19H19NO4
Molecular Weight
325.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-Hydroxycinnamic acid (l-phenylalanine methyl ester) amide
CAS Number615264-52-3
PubChem CID10019206
IUPAC Namemethyl (2S)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-3-phenylpropanoate
Molecular FormulaC19H19NO4
Molecular Weight325.4
XLogP2.4
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity435
SMILES
COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)/C=C/C2=CC=C(C=C2)O
InChI
InChI=1S/C19H19NO4/c1-24-19(23)17(13-15-5-3-2-4-6-15)20-18(22)12-9-14-7-10-16(21)11-8-14/h2-12,17,21H,13H2,1H3,(H,20,22)/b12-9+/t17-/m0/s1
InChIKey
ATJBWQGWPYQIAR-KQPPXVQYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxycinnamic acid (l-phenylalanine methyl ester) amide
CAS: 615264-52-3
CID: 10019206
Formula: C19H19NO4
MW: 325.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight325.4
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass325.13140809
Monoisotopic Mass325.13140809
Topological Polar Surface Area75.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity435
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
MBS5802531CAY10486

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