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Devimistat-d10

CAT: 0804-HY-15453S-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-15453S-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Devimistat-d10 is the deuterium-labeled Devimistat.
CAS Number
2586055-61-8
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Applications
Cancer-programmed cell death
Field of Research
Cancer
Purity
99.79
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(O)CCCCC(SCC1=C([2H])C([2H])=C([2H])C([2H])=C1[2H])CCSCC2=C([2H])C([2H])=C([2H])C([2H])=C2[2H]
Molecular Formula
C22H18D10O2S2
Molecular Weight
398.65
References & Citations
[1]Sakuratani T, et al. Downregulation of ARID1A in gastric cancer cells: a putative protective molecular mechanism against the Harakiri-mediated apoptosis pathway. Virchows Arch. 2021;478 (3) :401-411.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Devimistat-d10
CAS Number2586055-61-8
PubChem CID169316126
IUPAC Name6,8-bis[(2,3,4,5,6-pentadeuteriophenyl)methylsulfanyl]octanoic acid
Molecular FormulaC22H28O2S2
Molecular Weight398.7
XLogP5.5
Topological Polar Surface Area87.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Heavy Atom Count26
Formal Charge0
Complexity363
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])CSCCC(CCCCC(=O)O)SCC2=C(C(=C(C(=C2[2H])[2H])[2H])[2H])[2H])[2H])[2H]
InChI
InChI=1S/C22H28O2S2/c23-22(24)14-8-7-13-21(26-18-20-11-5-2-6-12-20)15-16-25-17-19-9-3-1-4-10-19/h1-6,9-12,21H,7-8,13-18H2,(H,23,24)/i1D,2D,3D,4D,5D,6D,9D,10D,11D,12D
InChIKey
ZYRLHJIMTROTBO-CRDOFXDFSA-N
Chemical Structure
2D Structure
2D structure of Devimistat-d10
CAS: 2586055-61-8
CID: 169316126
Formula: C22H28O2S2
MW: 398.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.7
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Exact Mass398.21583994
Monoisotopic Mass398.21583994
Topological Polar Surface Area87.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity363
Isotope Atom Count10
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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