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Repaglinide-d5

CAT: 0804-HY-15209S-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-15209S-04Size:25 mg
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Description
Repaglinide-d5 is deuterium labeled Repaglinide. Repaglinide is an insulin secretagogue for the treatment of type-2 diabetes mellitus[1].
CAS Number
1217709-85-7
Product Name Alternative
AG-EE 623ZW D5
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Isotope-Labeled Compounds; Potassium Channel
Type
Isotope-Labeled Compounds
Related Pathways
Membrane Transporter/Ion Channel; Others
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Purity
98.67
Solubility
DMSO : ≥ 50mg/mL
Smiles
O=C(O)C1=CC=C(CC(N[C@H](C2=CC=CC=C2N3CCCCC3)CC(C)C)=O)C=C1OC([2H])([2H])C([2H])([2H])[2H]
Molecular Formula
C27H31D5N2O4
Molecular Weight
457.62
Precautions
H302, H315, H319, H335
References & Citations
[1]Wang LC, et al. Characteristics of repaglinide and its mechanism of action on insulin secretion in patients with newly diagnosed type-2 diabetes mellitus.Medicine (Baltimore) . 2018 Sep;97 (38) :e12476.
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

Repaglinide-ethyl-d5
CAS Number1217709-85-7
PubChem CID45040351
IUPAC Name4-[2-[[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]-2-(1,1,2,2,2-pentadeuterioethoxy)benzoic acid
Molecular FormulaC27H36N2O4
Molecular Weight457.6
XLogP5.2
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count33
Formal Charge0
Complexity619
SMILES
[2H]C([2H])([2H])C([2H])([2H])OC1=C(C=CC(=C1)CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)O
InChI
InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1/i1D3,4D2
InChIKey
FAEKWTJYAYMJKF-NTSVIFQKSA-N
Chemical Structure
2D Structure
2D structure of Repaglinide-ethyl-d5
CAS: 1217709-85-7
CID: 45040351
Formula: C27H36N2O4
MW: 457.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight457.6
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass457.29889136
Monoisotopic Mass457.29889136
Topological Polar Surface Area78.9 Ų
Heavy Atom Count33
Formal Charge0
Complexity619
Isotope Atom Count5
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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