1398044-43-3

1398044-43-3 structure

Name: Linagliptin-13C,d3
Chemical Name: 8-[(3R)-3-Amino-1-piperidinyl]-7-[(4-13C,4,4,4-2H3)-2-butyn-1-yl]-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
CAS Number: 1398044-43-3
Molecular Formula: C₂₄₁₃CH₂₅D₃N₈O₂
Molecular Weight: 476.55
Catalog: Signaling Pathways Apoptosis Ferroptosis
Create Date: 2018-07-14 18:21:29
Modify Date: 2024-01-30 07:26:48
Linagliptin-13C,d3 is the 13C- and deuterium labeled. Linagliptin is a highly potent, selective DPP-4 inhibitor with IC50 of 1 nM.

Name	8-[(3R)-3-Amino-1-piperidinyl]-7-[(4-13C,4,4,4-2H3)-2-butyn-1-yl]-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Synonyms	8-[(3R)-3-Amino-1-piperidinyl]-7-[(4-13C,4,4,4-2H3)-2-butyn-1-yl]-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-3,7-dihydro-1H-purine-2,6-dione 1H-Purine-2,6-dione, 8-[(3R)-3-amino-1-piperidinyl]-7-(2-butyn-1-yl-4-13C-4,4,4-d3)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]- MFCD30179557

Description	Linagliptin-13C,d3 is the 13C- and deuterium labeled. Linagliptin is a highly potent, selective DPP-4 inhibitor with IC50 of 1 nM.
Related Catalog	Signaling Pathways >> Metabolic Enzyme/Protease >> Dipeptidyl Peptidase Signaling Pathways >> Apoptosis >> Ferroptosis Signaling Pathways >> Autophagy >> Autophagy Research Areas >> Metabolic Disease
In Vitro	Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[82].
References	[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-223. [2]. Eckhardt M, et al. 8-(3-(R)-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(4-methyl-quinazolin-2-ylmethyl)-3,7-dihydropurine-2,6-dione (BI 1356), a highly potent, selective, long-acting, and orally bioavailable DPP-4 inhibitor for the treatment of type 2 d [3]. Thomas L, et al. (R)-8-(3-amino-piperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(4-methyl-quinazolin-2-ylmethyl)-3,7-dihydro-purine-2,6-dione (BI 1356), a novel xanthine-based dipeptidyl peptidase 4 inhibitor, has a superior potency and longer duration of action [4]. Schurmann C, et al. The dipeptidyl peptidase-4 inhibitor linagliptin attenuates inflammation and accelerates epithelialization in wounds of diabetic ob/ob mice. J Pharmacol Exp Ther. 2012 Jul;342(1):71-80. [5]. Huan Y, et al. The dual DPP4 inhibitor and GPR119 agonist HBK001 regulates glycemic control and beta cell function ex and in vivo. Sci Rep. 2017 Jun 28;7(1):4351.

Density	1.4±0.1 g/cm3
Molecular Formula	C₂₄₁₃CH₂₅D₃N₈O₂
Molecular Weight	476.55
Exact Mass	476.255707
Index of Refraction	1.717

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