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Anagliptin

CAT: 0931-T7133-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T7133-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
739366-20-2
Target
Proteasome, DPP-4
Related Pathways
Ubiquitination, Proteases/Proteasome
Purity
>99.99%
Bioactivity
Anagliptin (SK-0403) is a potent inhibitor of DPP-4 (IC50 of 3.8 nM) used in the treatment of type 2 diabetes mellitus.
Smiles
Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N
Molecular Formula
C19H25N7O2
Molecular Weight
383.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Anagliptin

Anagliptin is an amino acid amide.

CAS Number739366-20-2
PubChem CID44513473
IUPAC NameN-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
Molecular FormulaC19H25N7O2
Molecular Weight383.4
XLogP0
Topological Polar Surface Area115
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity643
SMILES
CC1=NN2C=C(C=NC2=C1)C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N
InChI
InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1
InChIKey
LDXYBEHACFJIEL-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of Anagliptin
CAS: 739366-20-2
CID: 44513473
Formula: C19H25N7O2
MW: 383.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.4
XLogP30
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass383.20697307
Monoisotopic Mass383.20697307
Topological Polar Surface Area115 Ų
Heavy Atom Count28
Formal Charge0
Complexity643
Isotope Atom Count0
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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