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Mitiglinide (calcium hydrate)

CAT: 0804-HY-B0682A-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0682A-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Mitiglinide calcium hydrate (KAD-1229), an insulinotropic agent, is an ATP-sensitive K+ (KATP) channel antagonist. Mitiglinide calcium hydrate is highly specific to the Kir6.2/SUR1 complex (the pancreatic beta-cell KATP channel) . Mitiglinide Calcium hydrate can be used for the research of type 2 diabetes[1][2].
CAS Number
207844-01-7
Product Name Alternative
KAD-1229; S-21403
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Potassium Channel
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/Mitiglinide-calcium-hydrate.html
Purity
99.87
Solubility
DMSO : 25 mg/mL (ultrasonic) |H2O : < 0.1 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(N1C[C@@](CCCC2)([H])[C@@]2([H])C1)C[C@@H](C([O-])=O)CC3=CC=CC=C3.[0.5Ca2+].O
Molecular Formula
C19H24NO3.1/2Ca.H2O
Molecular Weight
352.46
Precautions
H302, H315, H319, H335
References & Citations
[1]Y Sunaga, et al. The effects of mitiglinide (KAD-1229), a new anti-diabetic drug, on ATP-sensitive K+ channels and insulin secretion: comparison with the sulfonylureas and nateglinide. Eur J Pharmacol. 2001 Nov 9;431 (1) :119-25.|[2]Kiyoshi Ichikawa, et al. Effect of KAD-1229, a novel hypoglycaemic agent, on plasma glucose levels after meal load in type 2 diabetic rats. Clin Exp Pharmacol Physiol. May-Jun 2002;29 (5-6) :423-7.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
Launched

Chemical Information

Mitiglinide Calcium Hydrate
CAS Number207844-01-7
PubChem CID6918235
IUPAC Namecalcium;bis((2S)-4-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-benzyl-4-oxobutanoate);dihydrate
Molecular FormulaC38H52CaN2O8
Molecular Weight704.9
Topological Polar Surface Area123
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count49
Formal Charge0
Complexity411
SMILES
C1CC[C@H]2CN(C[C@H]2C1)C(=O)C[C@H](CC3=CC=CC=C3)C(=O)[O-].C1CC[C@H]2CN(C[C@H]2C1)C(=O)C[C@H](CC3=CC=CC=C3)C(=O)[O-].O.O.[Ca+2]
InChI
InChI=1S/2C19H25NO3.Ca.2H2O/c2*21-18(20-12-15-8-4-5-9-16(15)13-20)11-17(19(22)23)10-14-6-2-1-3-7-14;;;/h2*1-3,6-7,15-17H,4-5,8-13H2,(H,22,23);;2*1H2/q;;+2;;/p-2/t2*15-,16+,17-;;;/m00.../s1
InChIKey
QEVLNUAVAONTEW-UZYHXJQGSA-L
Chemical Structure
2D Structure
2D structure of Mitiglinide Calcium Hydrate
CAS: 207844-01-7
CID: 6918235
Formula: C38H52CaN2O8
MW: 704.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight704.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass704.3349575
Monoisotopic Mass704.3349575
Topological Polar Surface Area123 Ų
Heavy Atom Count49
Formal Charge0
Complexity411
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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