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MedKoo Cat#: 524117 | Name: ABT-279

Description:

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

ABT-279 is a bio-active chemical.

Chemical Structure

ABT-279
ABT-279
CAS#676559-83-4

Theoretical Analysis

MedKoo Cat#: 524117

Name: ABT-279

CAS#: 676559-83-4

Chemical Formula: C21H25N5O3

Exact Mass: 395.1957

Molecular Weight: 395.45

Elemental Analysis: C, 63.78; H, 6.37; N, 17.71; O, 12.14

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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Related CAS #
No Data
Synonym
ABT-279; ABT 279; ABT279;
IUPAC/Chemical Name
4-Pyridinecarboxylic acid, 2-(4-((2-((2S,5R)-2-cyano-5-ethynyl-1-pyrrolidinyl)-2-oxoethyl)amino)-4-methyl-1-piperidinyl)-
InChi Key
FIMRNLAKAARHPD-IRXDYDNUSA-N
InChi Code
InChI=1S/C21H25N5O3/c1-3-16-4-5-17(13-22)26(16)19(27)14-24-21(2)7-10-25(11-8-21)18-12-15(20(28)29)6-9-23-18/h1,6,9,12,16-17,24H,4-5,7-8,10-11,14H2,2H3,(H,28,29)/t16-,17-/m0/s1
SMILES Code
CC1(CCN(CC1)c2cc(ccn2)C(=O)O)NCC(=O)N3[C@H](CC[C@H]3C#N)C#C
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, not in water
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 395.45 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: 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. 2: Havale SH, Pal M. Medicinal chemistry approaches to the inhibition of dipeptidyl peptidase-4 for the treatment of type 2 diabetes. Bioorg Med Chem. 2009 Mar 1;17(5):1783-802. doi: 10.1016/j.bmc.2009.01.061. Epub 2009 Jan 31. Review. PubMed PMID: 19217790. 3: Kim J, Flick J, Reimer MT, Rodila R, Wang PG, Zhang J, Ji QC, El-Shourbagy TA. LC-MS/MS determination of 2-(4-((2-(2S,5R)-2-Cyano-5-ethynyl-1-pyrrolidinyl)-2-oxoethylamino)-4-methyl-1-pi peridinyl)-4-pyridinecarboxylic acid (ABT-279) in dog plasma with high-throughput protein precipitation sample preparation. Biomed Chromatogr. 2007 Nov;21(11):1118-26. PubMed PMID: 17590862. 4: Zhang J, Kim EJ, Ji QC, El-Shourbagy TA. Developing multiple high-throughput GLP methods for an investigational drug candidate in various matrices within a 96-well plate. Rapid Commun Mass Spectrom. 2006;20(24):3755-60. PubMed PMID: 17120270. 5: Madar DJ, Kopecka H, Pireh D, Yong H, Pei Z, Li X, Wiedeman PE, Djuric SW, Von Geldern TW, Fickes MG, Bhagavatula L, McDermott T, Wittenberger S, Richards SJ, Longenecker KL, Stewart KD, Lubben TH, Ballaron SJ, Stashko MA, Long MA, Wells H, Zinker BA, Mika AK, Beno DW, Kempf-Grote AJ, Polakowski J, Segreti J, Reinhart GA, Fryer RM, Sham HL, Trevillyan JM. Discovery of 2-[4-{{2-(2S,5R)-2-cyano-5-ethynyl-1-pyrrolidinyl]-2-oxoethyl]amino]- 4-methyl-1-piperidinyl]-4-pyridinecarboxylic acid (ABT-279): a very potent, selective, effective, and well-tolerated inhibitor of dipeptidyl peptidase-IV, useful for the treatment of diabetes. J Med Chem. 2006 Oct 19;49(21):6416-20. PubMed PMID: 17034148.