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Artesunate-d3

CAT: 0804-HY-N0193SSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N0193SSize:10 mg
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Description
Artesunate-d3 is the deuterium labeled Artesunate. Artesunate is an inhibitor of both STAT-3 and exported protein 1 (EXP1) .
CAS Number
1316303-44-2
UNSPSC
12352005
Target
Ferroptosis; Parasite; STAT; Virus Protease
Type
Isotope-Labeled Compounds
Related Pathways
Anti-infection; Apoptosis; JAK/STAT Signaling; Stem Cell/Wnt
Field of Research
Cancer
Solubility
10 mM in DMSO
Smiles
OC(CCC(O[C@@H]1O[C@@](O[C@](OO2)(CC[C@@]3([H])[C@@H](CC4)C)C)([H])[C@@]23[C@]4([H])[C@H]1C([2H])([2H])[2H])=O)=O
Molecular Formula
C19H25D3O8
Molecular Weight
387.44
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216. |[2]Ilamathi M, et al. Artesunate as an Anti-Cancer Agent Targets Stat-3 and Favorably Suppresses Hepatocellular Carcinoma. Curr Top Med Chem. 2016;16 (22) :2453-63.|[3]Lisewski AM, et al. Supergenomic network compression and the discovery of EXP1 as a glutathione transferase inhibited by artesunate. Cell. 2014 Aug 14;158 (4) :916-928.|[4]Wang B, et al. Artesunate sensitizes ovarian cancer cells to cisplatin by downregulating RAD51. Cancer Biol Ther. 2015;16 (10) :1548-56.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Artesunate-d3
CAS Number1316303-44-2
PubChem CID71313492
IUPAC Name4-[[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5-dimethyl-9-(trideuteriomethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]-4-oxobutanoic acid
Molecular FormulaC19H28O8
Molecular Weight387.4
XLogP2.5
Topological Polar Surface Area101
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity623
SMILES
[2H]C([2H])([2H])[C@@H]1[C@@H]2CC[C@H]([C@H]3[C@]24[C@H](O[C@H]1OC(=O)CCC(=O)O)O[C@@](CC3)(OO4)C)C
InChI
InChI=1S/C19H28O8/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19/h10-13,16-17H,4-9H2,1-3H3,(H,20,21)/t10-,11-,12+,13+,16-,17-,18-,19-/m1/s1/i2D3
InChIKey
FIHJKUPKCHIPAT-XJCJQZEVSA-N
Chemical Structure
2D Structure
2D structure of Artesunate-d3
CAS: 1316303-44-2
CID: 71313492
Formula: C19H28O8
MW: 387.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.4
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass387.19724809
Monoisotopic Mass387.19724809
Topological Polar Surface Area101 Ų
Heavy Atom Count27
Formal Charge0
Complexity623
Isotope Atom Count3
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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