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Tolbutamide-d9

CAT: 0804-HY-B0401S-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0401S-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Tolbutamide-d9 is the deuterium labeled Tolbutamide. Tolbutamide is a first generation potassium channel blocker, sulfonylurea oral hypoglycemic agent.
CAS Number
1219794-57-6
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Autophagy; Potassium Channel
Type
Isotope-Labeled Compounds
Related Pathways
Autophagy; Membrane Transporter/Ion Channel
Field of Research
Metabolic Disease; Cancer
Purity
99.02
Solubility
10 mM in DMSO|DMF : ≥ 30mg/mL|DMSO : ≥ 30mg/mL|Ethanol : ≥ 30mg/mL
Smiles
O=S(C1=CC=C(C)C=C1)(NC(NC([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])=O)=O
Molecular Formula
C12H9D9N2O3S
Molecular Weight
279.40
Precautions
H302, 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]Wray, H.L. and A.W. Harris, Adenosine 3', 5'-monophosphate-dependent protein kinase in adipose tissue: inhibition by tolbutamide. Biochem Biophys Res Commun, 1973. 53 (1) : p. 291-4.|[3]Sanchez-Alvarez, R., et al., Tolbutamide reduces glioma cell proliferation by increasing connexin43, which promotes the up-regulation of p21 and p27 and subsequent changes in retinoblastoma phosphorylation. Glia, 2006. 54 (2) : p. 125-34.
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

Tolbutamide-d9
CAS Number1219794-57-6
PubChem CID76974282
IUPAC Name1-(4-methylphenyl)sulfonyl-3-(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl)urea
Molecular FormulaC12H18N2O3S
Molecular Weight279.41
XLogP2.3
Topological Polar Surface Area83.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity354
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])NC(=O)NS(=O)(=O)C1=CC=C(C=C1)C
InChI
InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)/i1D3,3D2,4D2,9D2
InChIKey
JLRGJRBPOGGCBT-ZYWCKPJZSA-N
Chemical Structure
2D Structure
2D structure of Tolbutamide-d9
CAS: 1219794-57-6
CID: 76974282
Formula: C12H18N2O3S
MW: 279.41
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight279.41
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass279.16030433
Monoisotopic Mass279.16030433
Topological Polar Surface Area83.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity354
Isotope Atom Count9
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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