N-[(5S)-5-Amino-6-(1,3-thiazolidin-3-yl)-6-oxohexyl]-N'-cyanoguanidine Hydrochloride | 1099124-29-4

• 英文名称: N-[(5S)-5-Amino-6-(1,3-thiazolidin-3-yl)-6-oxohexyl]-N'-cyanoguanidine Hydrochloride
• 英文别名: 2-[(5S)-5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]-1-cyanoguanidine;hydrochloride
• CAS: 1099124-29-4
• 化学式: C₁₁H₂₀N₆OS*ClH
• 分子量: 320.846
• InChiKey: QXSWBUSENGJVRI-FVGYRXGTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.03
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  146
• 氢给体数：
  4
• 氢受体数：
  5

文献信息

• Alpha-amino-acid compounds
  申请人：——

  公开号：US20030078247A1

  公开（公告）日：2003-04-24

  Compound selected from those of formula (I): 1 wherein 2 represents an optionally substituted 5-membered nitrogen-containing heterocycle, Ak represents an alkylene chain, X represents a single bond or phenylene, R 1 and R 2 , which may be identical or different, each represent hydrogen or alkyl, R 3 represents alkyl, nitro or cyano, Y represents NR 4 or CHNO 2 , R 4 represents hydrogen or alkyl, its tautomers when they exist, its optical isomers, and addition salts thereof with a pharmaceutically acceptable acid, with the exclusion of compounds wherein, simultaneously, 3 represents an unsubstituted 5-membered nitrogen-containing heterocycle, Ak represents —(CH 2 ) 3 —, X represents a single bond, Y represents NH and R 3 represents nitro. Medicinal products containing the same which are useful as dipeptidyl peptidase IV inhibitors.

  从式(I)中选择的化合物：其中2代表可选择取代的含氮杂环的5元环，Ak代表烷基链，X代表单键或苯基，R1和R2可以相同也可以不同，分别代表氢或烷基，R3代表烷基、硝基或氰基，Y代表NR4或CHNO2，R4代表氢或烷基，其互变异构体和光学异构体，以及与药学上可接受的酸形成的加合物，但排除同时3代表未取代的5元杂环、Ak代表-(CH2)3-、X代表单键、Y代表NH和R3代表硝基的化合物。含有这些化合物的药物可用作二肽基肽酶IV抑制剂。
• US6706742B2
  申请人：——

  公开号：US6706742B2

  公开（公告）日：2004-03-16