MedKoo Cat#: 529913 | Name: Carmegliptin (free base)

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Carmegliptin (free base), also known as RG-1579 and RO4876904, is a dipeptidyl peptidase IV (DPP-4) inhibitor potentially for the treatment of type 2 diabetes.

Chemical Structure

Carmegliptin (free base)
Carmegliptin (free base)
CAS#813452-18-5 (free base)

Theoretical Analysis

MedKoo Cat#: 529913

Name: Carmegliptin (free base)

CAS#: 813452-18-5 (free base)

Chemical Formula: C20H21F3N2O2

Exact Mass: 378.1600

Molecular Weight: 378.40

Elemental Analysis: C, 63.48; H, 5.59; F, 15.06; N, 7.40; O, 8.46

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Synonym
R-1579; RG-1579; RO-4876904; RO-4876904-001; R1579; RG1579; RO4876904; RO4876904001; R 1579; RG 1579; RO 4876904; RO 4876904 001
IUPAC/Chemical Name
1-Piperazineacetic acid, 4-((R)-phenyl(3-(trifluoromethyl)phenyl)methyl)-
InChi Key
MDLQJNCGZVDZFV-LJQANCHMSA-N
InChi Code
InChI=1S/C20H21F3N2O2/c21-20(22,23)17-8-4-7-16(13-17)19(15-5-2-1-3-6-15)25-11-9-24(10-12-25)14-18(26)27/h1-8,13,19H,9-12,14H2,(H,26,27)/t19-/m1/s1
SMILES Code
O=C(O)CN1CCN([C@H](C2=CC=CC=C2)C3=CC=CC(C(F)(F)F)=C3)CC1
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 378.40 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Kuhlmann O, Carlile D, Noe J, Bentley D. Interaction potential of Carmegliptin with P-glycoprotein (Pgp) transporter in healthy volunteers. J Drug Assess. 2014 Mar 3;3(1):28-37. doi: 10.3109/21556660.2014.900065. PubMed PMID: 27536451; PubMed Central PMCID: PMC4937633. 2: Kuhlmann O, Paehler A, Weick I, Funk C, Pantze M, Zell M, Timm U. Pharmacokinetics and metabolism of the dipeptidyl peptidase IV inhibitor carmegliptin in rats, dogs, and monkeys. Xenobiotica. 2010 Dec;40(12):840-52. doi: 10.3109/00498254.2010.519406. PubMed PMID: 20868265. 3: Gilibili RR, Bhamidipati RK, Mullangi R, Srinivas NR. Retrospective and Prospective Human Intravenous and Oral Pharmacokinetic Projection of Dipeptidyl peptidase-IV Inhibitors Using Simple Allometric Principles - Case Studies of ABT-279, ABT-341, Alogliptin, Carmegliptin, Sitagliptin and Vildagliptin. J Pharm Pharm Sci. 2015;18(3):434-48. PubMed PMID: 26517136. 4: Mattei P, Boehringer M, Di Giorgio P, Fischer H, Hennig M, Huwyler J, Koçer B, Kuhn B, Loeffler BM, Macdonald A, Narquizian R, Rauber E, Sebokova E, Sprecher U. Discovery of carmegliptin: a potent and long-acting dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes. Bioorg Med Chem Lett. 2010 Feb 1;20(3):1109-13. doi: 10.1016/j.bmcl.2009.12.024. PubMed PMID: 20031405. 5: Agrawal R, Jain P, Dikshit SN. Ligand-based pharmacophore detection, screening of potential gliptins and docking studies to get effective antidiabetic agents. Comb Chem High Throughput Screen. 2012 Dec;15(10):849-76. PubMed PMID: 23140189.