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利拉利汀 | 668270-12-0

利拉利汀
Linagliptin
668270-12-0
C25H28N8O2
472.5422
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:利拉利汀结构式
10096344
利拉利汀价格
简介
Linagliptin 是一种有效,选择性的 DPP-4 抑制剂,IC50 值为 1 nM。
名称和标识符
MDL MFCD14635356
InChIKey LTXREWYXXSTFRX-QGZVFWFLSA-N
Inchi 1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1
SMILES O=C1C2=C(N(C([H])([H])[H])C(N1C([H])([H])C1N=C(C([H])([H])[H])C3=C([H])C([H])=C([H])C([H])=C3N=1)=O)N=C(N2C([H])([H])C#CC([H])([H])[H])N1C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C1([H])[H])N([H])[H]
别名信息
- 中文别名 -
  • 利拉利汀
  • 8-[(3R)-3-氨基-1-哌啶基]-7-(2-丁炔基)-3,7-二氢-3-甲基-1-[(4-甲基-2-喹唑啉基)甲基]-1H-嘌呤-2,6-二酮
  • 利拉利
  • 利拉利汀LINAGLIPTIN
  • 利那列汀
  • 利拉列汀
  • 利格列汀
  • 利拉利汀杂质
  • 利拉利汀标准品
  • 利拉利汀标准品及杂质
  • 利拉利汀杂质及标准品
  • 氧氟沙星杂质B
- 英文别名 -
  • Linagliptin
  • 8-[(3R)-3-Amino-1-piperidinyl]-7-(2-butynyl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-1H-purine-2,6-dione
  • (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
  • 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)-
  • Bi 1356
  • Ondero
  • 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
  • 8-[(3R)-3-AMino-1-piperidinyl]-7-(2-butyn-1-yl)-3,7-dihydro-3-Methyl-1-[(4-Methyl-2-quinazolinyl)Methyl]-1H-purine-2,6-dione
  • 8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione
  • Linaglitpin
  • BI-1356
  • BI-1356-BS
  • Tradjenta
  • Trajenta
  • 3X29ZEJ4R2
  • 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
  • (R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-1H-purine-2,6
  • 1-[(4-Methylquinazolin-2-yl)-methyl]-3-methyl-7-(2-butin-1-yl)-8-(3-(R)-aminopiperidin-1-yl)-xanthine
  • linagliptine
  • TRIJARDY XR COMPONENT LINAGLIPTIN
  • 1-[(4-Methylquinazolin-2-yl)methyl]-3-methyl-7-(2-butin-1-yl)-8-(3-(R)-aminopiperidin-1-yl)-xanthine
  • BCP02462
  • Linagliptin (JAN/USAN/INN)
  • CS-0637
  • LINAGLIPTIN [MART.]
  • 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
  • Tradjenta (TN)
  • 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
  • 668270-12-0
  • GTPL6318
  • LTXREWYXXSTFRX-QGZVFWFLSA-N
  • LINAGLIPTIN [MI]
  • LINAGLIPTIN [JAN]
  • BI1356
  • GLYXAMBI COMPONENT LINAGLIPTIN
  • AB01563307_01
  • LINAGLIPTIN [INN]
  • BI 1356
  • Linagliptin
  • (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
  • s3031
  • LINAGLIPTIN COMPONENT OF JENTADUETO
  • 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
  • BCPP000185
  • 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
  • AKOS015995251
  • NS00098773
  • LINAGLIPTIN [WHO-DD]
  • C25H28N8O2
  • 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)-
  • BL164627
  • (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
  • BCP9000854
  • AKOS015951179
  • NCGC00346655-02
  • Linagliptin (BI-1356)
  • (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
  • linagliptinum
  • HY-10284
  • CHEBI:68610
  • UNII-3X29ZEJ4R2
  • BS-1356-BS
  • CHEMBL237500
  • AC-8761
  • (R)-8-(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]-3,7-dihydro-1H-purine-2,6-dione
  • EN300-6481354
  • AMY8953
  • LINAGLIPTIN (MART.)
  • LINAGLIPTIN COMPONENT OF GLYXAMBI
  • LINAGLIPTIN [ORANGE BOOK]
  • BS 1356 BS
  • J-519354
  • ione
  • BDBM50228403
  • (R)-8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(4-methylquinazolin-2-ylmethyl)-3,7-dihydro-purine-2,6-dione
  • Q909745
  • 1-[(4-methyl-quinazolin-2-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-(3-(R)-aminopiperidin-1-yl)xanthine
  • CCG-269463
  • DB08882
  • NCGC00346655-01
  • BI 1356 BS
  • AB01563307_03
  • Z2235801970
  • BI-1356BS
  • SW219813-1
  • SMR004701306
  • MFCD14635356
  • 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
  • Trazenta
  • LINAGLIPTIN [VANDF]
  • SCHEMBL160188
  • Linagliptina
  • 1-[(4-methyl-quinazolin-2-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-(3-(R)aminopiperidin-1-yl)xanthine
  • AS-35080
  • 1-[(4-methyl-quinazolin-2yl) methyl]-3-methyl-7-(2-butyn-1-yl)-8-[3-(R) amino-piperidin-1-yl]-xanthine
  • LINAGLIPTIN COMPONENT OF TRIJARDY XR
  • Linagliptin [USAN:INN:JAN]
  • D09566
  • A10BH05
  • 1233245-11-8
  • DTXSID201021653
  • MLS006010217
  • LINAGLIPTIN [USAN]
  • EX-A076
  • JENTADUETO COMPONENT OF LINAGLIPTIN
  • HSDB 8204
物化性质
实验特性
LogP 1.91270
PSA 116.86000
折射率 1.717
沸点 661.2°C at 760 mmHg
熔点 202ºC
闪点 353.7±34.3 °C
溶解度 生物体外In Vitro:DMSO溶解度10 mg/mL(21.16 mM;Need ultrasonic)
颜色与性状 Powder
密度 1.39
计算特性
精确分子量 472.23400
氢键供体数量 1
氢键受体数量 7
可旋转化学键数量 4
同位素质量 472.23352217g/mol
重原子数量 35
复杂度 885
同位素原子数量 0
确定原子立构中心数量 1
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 1.9
拓扑分子极性表面积 114
专业数据库参考
PubChemId 10096344
化合物详情(旧版)

物理化学性质

密度 1.39
熔点 202 ºC

产品用途

利拉利汀由勃林格殷格翰研发的利拉利汀于2011年5月2日获FDA批准,用于结合饮食和运动改善2型糖尿病人对血糖水平的控制。利拉利汀通过抑制二肽基肽酶-4(DPP-4)而改善患者的血糖控制。

应用领域







化学品安全说明书(MSDS)



储运特性





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