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CAY10485

CAT: 0931-T35984-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T35984-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
615264-62-5
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. CAY10485 inhibits human ACAT-1 and ACAT-2 with an IC50 values of 95 and 81 μM, respectively. It also inhibits copper-mediated oxidation of low density lipoproteins by 91% at a concentration of 2 μM.
Smiles
[C@H](C(OCC1=CC=CC=C1)=O)(NC(CCC2=CC(O)=C(O)C=C2)=O)CC(OCC3=CC=CC=C3)=O
Molecular Formula
C27H27NO7
Molecular Weight
477.51
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dibenzyl (2S)-2-[3-(3,4-dihydroxyphenyl)propanoylamino]butanedioate
CAS Number615264-62-5
PubChem CID35026724
IUPAC Namedibenzyl (2S)-2-[3-(3,4-dihydroxyphenyl)propanoylamino]butanedioate
Molecular FormulaC27H27NO7
Molecular Weight477.5
XLogP3.5
Topological Polar Surface Area122
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Heavy Atom Count35
Formal Charge0
Complexity672
SMILES
C1=CC=C(C=C1)COC(=O)C[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)CCC3=CC(=C(C=C3)O)O
InChI
InChI=1S/C27H27NO7/c29-23-13-11-19(15-24(23)30)12-14-25(31)28-22(27(33)35-18-21-9-5-2-6-10-21)16-26(32)34-17-20-7-3-1-4-8-20/h1-11,13,15,22,29-30H,12,14,16-18H2,(H,28,31)/t22-/m0/s1
InChIKey
SNEUAEKNRYBOTP-QFIPXVFZSA-N
Chemical Structure
2D Structure
2D structure of Dibenzyl (2S)-2-[3-(3,4-dihydroxyphenyl)propanoylamino]butanedioate
CAS: 615264-62-5
CID: 35026724
Formula: C27H27NO7
MW: 477.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight477.5
XLogP33.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Exact Mass477.17875220
Monoisotopic Mass477.17875220
Topological Polar Surface Area122 Ų
Heavy Atom Count35
Formal Charge0
Complexity672
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
MBS5797213CAY10485

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