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Cinnamic acid-13C3

CAT: 0804-HY-N0610AS2-01Size: 100 µgDry Ice: NoHazardous: No
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CAT#:0804-HY-N0610AS2-01Size:100 µg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Cinnamic acid-13C3 (3-Phenylacrylic acid-13C3) is the 13C labeled Cinnamic acid. Cinnamic acid has potential use in cancer intervention, with IC50s of 1-4.5 mM in glioblastoma, melanoma, prostate and lung carcinoma cells[1][2].
CAS Number
2734410-01-4
Product Name Alternative
3-Phenylacrylic acid-13C3; β-Phenylacrylic acid-13C3
UNSPSC
12352005
Target
Endogenous Metabolite; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Metabolic Enzyme/Protease; Others
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/cinnamic-acid-13c3.html
Purity
99.91
Solubility
DMSO : 125 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O[13C](/[13CH]=[13CH]/C1=CC=CC=C1)=O
Molecular Formula
C6 13C3H8O2
Molecular Weight
151.14
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.|[2]Liu L, et al. Cinnamic acid: a natural product with potential use in cancer intervention. Int J Cancer. 1995 Jul 28;62 (3) :345-50.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Cinnamic acid-13C3
CAS Number2734410-01-4
PubChem CID139025096
IUPAC Name(E)-3-phenyl(1,2,3-13C3)prop-2-enoic acid
Molecular FormulaC9H8O2
Molecular Weight151.14
XLogP2.1
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity155
SMILES
C1=CC=C(C=C1)/[13CH]=[13CH]/[13C](=O)O
InChI
InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+/i6+1,7+1,9+1
InChIKey
WBYWAXJHAXSJNI-JOCCQEFWSA-N
Chemical Structure
2D Structure
2D structure of Cinnamic acid-13C3
CAS: 2734410-01-4
CID: 139025096
Formula: C9H8O2
MW: 151.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight151.14
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass151.062494000
Monoisotopic Mass151.062494000
Topological Polar Surface Area37.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity155
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
444573-01Cinnamic Acid-13C3
TRC-D460667-25MG3,4-Dimethoxy[7,8,9,-13C3]-cinnamic Acid
sc-2165813,4-Dimethoxy[7,8,9, -13C3]-cinnamic Acid
444572-01Cinnamic Acid

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