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LDL-IN-1

CAT: 0804-HY-118486-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-118486-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
LDL-IN-1 (Compound 1) is an antioxidant, and is active against copper mediated LDL oxidation (IC50 = 52 μM) . LDL-IN-1 is also an Acyl-CoA:cholesterol acyltransferase-1 and -2 (ACAT-1/2) inhibitor, with IC50s of 60 μM. LDL-IN-1 can be used for anti-atherosclerotic research[1].
CAS Number
615264-52-3
UNSPSC
12352005
Target
Acyltransferase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/ldl-in-1.html
Purity
99.0
Solubility
DMSO : 30 mg/mL (ultrasonic; warming)
Smiles
O=C(/C=C/C1=CC=C(C=C1)O)N[C@H](C(OC)=O)CC2=CC=CC=C2
Molecular Formula
C19H19NO4
Molecular Weight
325.36
References & Citations
[1]Lee S, et al. Synthesis of cinnamic acid derivatives and their inhibitory effects on LDL-oxidation, acyl-CoA:cholesterol acyltransferase-1 and -2 activity, and decrease of HDL-particle size. Bioorg Med Chem Lett. 2004 Sep 20;14 (18) :4677-81.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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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