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Umbelliferone-d5

CAT: 0804-HY-N0573SSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N0573SSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Umbelliferone-d5 (7-Hydroxycoumarin-d5) is the deuterium labeled Umbelliferone. Umbelliferone (7-Hydroxycoumarin), a natural orally active product of the coumarin family, is a fluorescing compound which can be used as a sunscreen agent. Umbelliferone induces cell cycle arrest, apoptosis and DNA fragmentation in HepG2 cells. Umbelliferone exhibits significant anticancer effects. Umbelliferone attenuates the alteration characteristics of allergic airway inflammation. Umbelliferone displays the neuroprotective effects and cross the blood-brain barrier. Umbelliferone exhibits anti-inflammatory and antioxidant effects in chronic alcohol-fed rats[1][2].
CAS Number
1215373-23-1
Product Name Alternative
7-Hydroxycoumarin-d5; Hydrangin-d5; NSC 19790-d5
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
Apoptosis; Fluorescent Dye; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Apoptosis; Others
Field of Research
Cancer; Inflammation/Immunology; Neurological Disease
Purity
98.0
Solubility
10 mM in DMSO|DMSO : ≥ 14.29mg/mL|H2O : 0.1mg/mL (ultrasonic)
Smiles
OC1=C([2H])C([2H])=C(C([2H])=C([2H])C(O2)=O)C2=C1[2H]
Molecular Formula
C9HD5O3
Molecular Weight
167.17
Precautions
H315, H319, H335
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216. |[2]Yu SM, et al. Umbelliferone exhibits anticancer activity via the induction of apoptosis and cell cycle arrest in HepG2 hepatocellular carcinoma cells. Mol Med Rep. 2015 Sep;12 (3) :3869-3873.
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

7-Hydroxy(~2~H_5_)-2H-1-benzopyran-2-one
CAS Number1215373-23-1
PubChem CID45358955
IUPAC Name3,4,5,6,8-pentadeuterio-7-hydroxychromen-2-one
Molecular FormulaC9H6O3
Molecular Weight167.17
XLogP1.6
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity222
SMILES
[2H]C1=C(C(=C(C2=C1C(=C(C(=O)O2)[2H])[2H])[2H])O)[2H]
InChI
InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H/i1D,2D,3D,4D,5D
InChIKey
ORHBXUUXSCNDEV-RALIUCGRSA-N
Chemical Structure
2D Structure
2D structure of 7-Hydroxy(~2~H_5_)-2H-1-benzopyran-2-one
CAS: 1215373-23-1
CID: 45358955
Formula: C9H6O3
MW: 167.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight167.17
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass167.063077779
Monoisotopic Mass167.063077779
Topological Polar Surface Area46.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity222
Isotope Atom Count5
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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