Melogliptin - CAS 868771-57-7
Catalog number:
868771-57-7
Category:
Inhibitor
Not Intended for Therapeutic Use. For research use only.
Molecular Formula:
C15H21FN6O
Molecular Weight:
320.37
COA:
Inquire
Targets:
DPP4
Description:
Melogliptin is a selective dipeptidyl peptidase IV (DPP-IV) inhibitor. But No development was reported about Phase-II for Type-2 diabetes mellitus.
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Purity:
98%
Appearance:
Powder
Synonyms:
GRC 8200;4-fluoro-1-[2-[[(1R,3S)-3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile
Solubility:
Soluble in DMSO
Storage:
-20℃ Freezer
MSDS:
Inquire
Application:
Type 2 diabetes mellitus
Quality Standard:
In-house standard
Shelf Life:
2 month in rt, long time
Quantity:
Milligrams-Grams
Density:
1.44
InChIKey:
JSYGLDMGERSRPC-RJZJGCCBSA-N
InChI:
InChI=1S/C15H21FN6O/c16-12-4-14(5-17)22(8-12)15(23)6-19-13-2-1-11(3-13)7-21-10-18-9-20-21/h9-14,19H,1-4,6-8H2/t11-,12?,13+,14?/m0/s1
Canonical SMILES:
C1CC(CC1CN2C=NC=N2)NCC(=O)N3CC(CC3C#N)F
Current Developer:
Originator Glenmark Pharmaceuticals Ltd
1.Ligand-based pharmacophore detection, screening of potential gliptins and docking studies to get effective antidiabetic agents.
Agrawal R1, Jain P, Dikshit SN. Comb Chem High Throughput Screen. 2012 Dec;15(10):849-76.
Three-dimensional pharmacophore hypothesis was established based on a set of known DPP-IV inhibitor using PharmaGist software program understanding the essential structural features for DPP-IV inhibitor. The various marketed or under developmental status, potential gliptins have been opted to build a pharmacophore model, e.g. Sitagliptin (MK- 0431), Saxagliptin, Melogliptin, Linagliptin (BI-1356), Dutogliptin, Carmegliptin, Alogliptin and Vildagliptin (LAF237). PharmaGist web based program is employed for pharmacophore development. Four points pharmacophore with the hydrogen bond acceptor (A), hydrophobic group (H), Spatial Features and aromatic rings (R) have been considered to develop pharmacophoric features by PharmaGist program. The best pharmacophore model bearing the Score 16.971, has been opted to screen on ZincPharmer database to derive the novel potential anti-diabetic ligands. The best pharmacophore bear various Pharmacophore features, including General Features 3, Spatial Features 1, Aromatic 1 and Acceptors 2.
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CAS 868771-57-7 Melogliptin

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