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MK-0626

CAT: 0013-GTR19211081-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19211081-01Size:1 mg
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Description
MK-0626 is an oral DPP-4 inhibitor that reduces hepatic steatosis via AMPK activation and protects pancreatic islets in diabetic models by upregulating GLP-1R. It also promotes angiogenesis by increasing endothelial progenitor cells and eNOS expression, making it a useful research tool for studying metabolic and cardiovascular diseases.
CAS Number
690257-74-0
Product Name Alternative
MK0626, MK-0626, MK-0626 free base, MK 0626
Field of Research
Epigenetics & Chromatin, Pharmacology & Drug Discovery, Signal Transduction
Purity
99.47% (May vary between batches)
Smiles
[C@H] ([C@@H] (C (=O) N1CC (F) (F) CC1) N) (C (N (C) C) =O) C2=CC=C (C=C2) C3=CN4C (C=C3) =NC=N4
Molecular Formula
C22H24F2N6O2
Molecular Weight
442.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 11576569
CAS Number690257-74-0
PubChem CID11576569
IUPAC Name(2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]butanamide;hydrochloride
Molecular FormulaC22H25ClF2N6O2
Molecular Weight478.9
Topological Polar Surface Area96.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity700
SMILES
CN(C)C(=O)[C@@H](C1=CC=C(C=C1)C2=CN3C(=NC=N3)C=C2)[C@@H](C(=O)N4CCC(C4)(F)F)N.Cl
InChI
InChI=1S/C22H24F2N6O2.ClH/c1-28(2)20(31)18(19(25)21(32)29-10-9-22(23,24)12-29)15-5-3-14(4-6-15)16-7-8-17-26-13-27-30(17)11-16;/h3-8,11,13,18-19H,9-10,12,25H2,1-2H3;1H/t18-,19-;/m0./s1
InChIKey
GASPARHQYMAFGL-HLRBRJAUSA-N
Chemical Structure
2D Structure
2D structure of CID 11576569
CAS: 690257-74-0
CID: 11576569
Formula: C22H25ClF2N6O2
MW: 478.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass478.1695581
Monoisotopic Mass478.1695581
Topological Polar Surface Area96.8 Ų
Heavy Atom Count33
Formal Charge0
Complexity700
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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