Linagliptin

Molecular Mass: 472.5 g/mol

Formula: C₂₅H₂₈N₈O₂

Smiles: CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C

Synonymes:

Linagliptin, 668270-12-0, Tradjenta, BI-1356, BI 1356, Trazenta, Trajenta, BI-1356-BS, linagliptine, Linagliptina, BS 1356 BS, BI1356, 3X29ZEJ4R2, (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-1356BS, BI 1356 BS, BS-1356-BS, CHEBI:68610, DTXSID201021653, GLYXAMBI COMPONENT LINAGLIPTIN, (R)-8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(4-methylquinazolin-2-ylmethyl)-3,7-dihydro-purine-2,6-dione, 1H-Purine-2,6-dione, 8-((3R)-3-amino-1-piperidinyl)-7-(2-butynyl)-3,7-dihydro-3-methyl-1-((4-methyl-2-quinazolinyl)methyl)-, TRIJARDY XR COMPONENT LINAGLIPTIN, 8-[(3R)-3-aminopiperidin-1-yl]-7-(but-2-yn-1-yl)-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione, linagliptinum, 8-((3R)-3-AMINOPIPERIDIN-1-YL)-7-(BUT-2-YN-1-YL)-3-METHYL-1-((4-METHYLQUINAZOLIN-2-YL)METHYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, RefChem:5948, 1356, BI, A10BH05, DTXCID801506661, Ondero, Linagliptin (BI-1356), MFCD14635356, ione, CHEMBL237500, C25H28N8O2, (R)-8-(3-Aminopiperidin-1-yl)-7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-1H-purine-2,6(3H,7H)-dione, (R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-1H-purine-2,6(3H,7H)-dione, (R)-8-[3-Aminopiperidin-1-yl]-7-(2-butynyl)-3-methyl-1-(4-methylquinazolin-2-ylmethyl)xanthine, 1H-Purine-2,6-dione,8-[(3R)-3-amino-1-piperidinyl]-7-(2-butynyl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-, 8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione, 8-[(3r)-3-Aminopiperidin-1-Yl]-7-But-2-Yn-1-Yl-3-Methyl-1-[(4-Methylquinazolin-2-Yl)methyl]-3,7-Dihydro-1h-Purine-2,6-Dione, UNII-3X29ZEJ4R2, Linaglitpin, Linagliptin [USAN:INN:JAN], HSDB 8204, Tradjenta (TN), 8-[(3R)-3-Aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-d ione, Linagliptin (Standard), LINAGLIPTIN [MI], LINAGLIPTIN [INN], LINAGLIPTIN [JAN], LINAGLIPTIN [USAN], LINAGLIPTIN [VANDF], LINAGLIPTIN [MART.], LINAGLIPTIN [WHO-DD], Linagliptin (BI-1356)?, MLS006010217, SCHEMBL160188, Linagliptin (JAN/USAN/INN), GTPL6318, orb1310851, orb3141336, Linagliptin - Bio-X trade mark, SCHEMBL29359185, EX-A076, LINAGLIPTIN [ORANGE BOOK], LTXREWYXXSTFRX-QGZVFWFLSA-N, GLXC-10521, MSK15589, BDBM50228403, EBC-13284, HY-10284R, s3031, AKOS015951179, AKOS015995251, AC-8761, CCG-269463, CS-0637, DB08882, FL24893, NCGC00346655-01, NCGC00346655-02, NCGC00346655-08, 1h-purine-2,6-dione, 8-[(3r)-3-amino-1-piperidinyl]-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-, 8-[(3R)-3-amino-1-piperidyl]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione, 8-[(3R)-3-aminopiperidin-1-yl]-7-(but-2-yn-1-yl)-3- methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione, 8-[(3R)-3-aminopiperidin-1-yl]-7-(but-2-yn-1-yl)-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, AS-35080, BL164627, DA-54932, HY-10284, SMR004701306, NS00098773, SW219813-1, D09566, AB01563307_01, AB01563307_03, EN300-6481354, Q909745, BRD-K96550715-001-02-6, BRD-K96550715-001-03-4, BRD-K96550715-001-04-2, BRD-K96550715-003-01-4, Z2235801970, 1-[(4-methyl-quinazolin-2-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-(3-(R)-aminopiperidin-1-yl)xanthine, 1-[(4-methyl-quinazolin-2-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-(3-(R)aminopiperidin-1-yl)xanthine, 1-[(4-methyl-quinazolin-2yl) methyl]-3-methyl-7-(2-butyn-1-yl)-8-[3-(R) amino-piperidin-1-yl]-xanthine, 1-[(4-Methylquinazolin-2-yl)-methyl]-3-methyl-7-(2-butin-1-yl)-8-(3-(R)-aminopiperidin-1-yl)-xanthine, 1-[(4-Methylquinazolin-2-yl)methyl]-3-methyl-7-(2-butin-1-yl)-8-(3-(R)-aminopiperidin-1-yl)-xanthine, 1233245-11-8, 8-[(3R)-3-Aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-d

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1-Propanol	273.15	-	2.206	[129]
1-Propanol	278.15	-	2.587	[129]
1-Propanol	283.15	-	3.053	[129]
1-Propanol	288.15	-	3.64	[129]
1-Propanol	293.15	-	4.24	[129]
1-Propanol	298.15	-	4.996	[129]
1-Propanol	303.15	-	5.82	[129]
1-Propanol	308.15	-	6.71	[129]
1-Propanol	313.15	-	7.742	[129]
Acetonitrile	273.15	-	3.936	[129]
Acetonitrile	278.15	-	5.023	[129]
Acetonitrile	283.15	-	6.168	[129]
Acetonitrile	288.15	-	7.451	[129]
Acetonitrile	293.15	-	8.778	[129]
Acetonitrile	298.15	-	10.25	[129]
Acetonitrile	303.15	-	11.72	[129]
Acetonitrile	308.15	-	13.31	[129]
Acetonitrile	313.15	-	15.06	[129]
Ethanol	273.15	-	4.232	[129]
Ethanol	278.15	-	5.247	[129]
Ethanol	283.15	-	6.402	[129]
Ethanol	288.15	-	7.712	[129]
Ethanol	293.15	-	9.161	[129]
Ethanol	298.15	-	11.03	[129]
Ethanol	303.15	-	13.08	[129]
Ethanol	308.15	-	15.5	[129]
Ethanol	313.15	-	18.37	[129]
Isopropanol	273.15	-	1.434	[129]
Isopropanol	278.15	-	1.771	[129]
Isopropanol	283.15	-	2.143	[129]
Isopropanol	288.15	-	2.616	[129]
Isopropanol	293.15	-	3.065	[129]
Isopropanol	298.15	-	3.552	[129]
Isopropanol	303.15	-	4.083	[129]
Isopropanol	308.15	-	4.651	[129]
Isopropanol	313.15	-	5.283	[129]
Methanol	273.15	-	7.29	[129]
Methanol	278.15	-	9.245	[129]
Methanol	283.15	-	11.5	[129]
Methanol	288.15	-	14.24	[129]
Methanol	293.15	-	17.31	[129]
Methanol	298.15	-	20.8	[129]
Methanol	303.15	-	24.58	[129]
Methanol	308.15	-	29.16	[129]
Methanol	313.15	-	34.52	[129]

Molecule 3D descriptors

Descriptor	Value
PMI1	2609.7232
PMI2	7625.2524
PMI3	8579.8568
NPR1	0.3042
NPR2	0.8887
RadiusOfGyration	4.4618
InertialShapeFactor	0.0003
Eccentricity	0.9526
Asphericity	0.3486
SpherocityIndex	0.3114
PBF	1.3247