1-(7'-hydroxyoctyl)-3,7-dimethylxanthine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 1-(7'-hydroxyoctyl)-3,7-dimethylxanthine
• 英文别名: 1-(7-Hydroxyoctyl)-3,7-dimethylpurine-2,6-dione
• 化学式: C₁₅H₂₄N₄O₃
• 分子量: 308.381
• InChiKey: SYDUIYDGOZLHBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  78.7
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Substituted amino alkyl compounds
  申请人：CELL THERAPEUTICS, INC.

  公开号：EP1460074A1

  公开（公告）日：2004-09-22

  Compounds and pharmaceutical compositions thereof comprise the general formula:(R)j - (core moiety), including resolved enantiomers and/or diastereomers, hydrates, salts, solvates and mixtures thereof, wherein j is an integer from one to three, the core moiety is non-cyclic or comprises at least one, five- to seven-membered ring structure, R may be selected from the group consisting of a hydrogen, halogen atom, hydroxyl, amino, substituted or unsubstituted benzyl, alkyl (C1-6) or alkenyl (C2-6) group, and at least one R has the general formula I: wherein n is an integer from four to eighteen; each R'1 and R'2 is independently a hydrogen atom, alkyl (C1-4) or alkenyl (C2-4) groups, the alkyl or alkenyl groups being preferably substituted by a halogen atom, hydroxyl, keto or dimethylamino group and/or may be interrupted by an oxygen atom; and each R'3 and R'4 is independently a hydrogen atom or methyl group. Preferably, n is an integer from six to ten, R'1 and R'2 are independently hydrogen atoms or methyl groups and R'3 and R'4 are hydrogen atoms. The compounds are useful in treating or preventing, for example, sepsis syndrome, hematopoietic or organ toxicity, baldness, hair loss or allopecia caused by cytotoxic therapies, and progression of an inflammatory or autoimmune disease.

  化合物及其药物组合物由通式组成：(R)j-(核心分子)，包括已解析的对映体和/或非对映异构体、水合物、盐、溶媒及其混合物，其中j为1至3的整数，核心分子为非环状或包括至少一个五至七元环结构，R可选自氢、卤素原子、羟基、氨基、取代或未取代的苄基、烷基(C1-6)或烯基(C2-6)所组成的组，且至少一个R具有通式I： 其中 n 是 4 到 18 的整数；每个 R'1 和 R'2 独立地为氢原子、烷基（C1-4）或烯基（C2-4），烷基或烯基最好被卤原子、羟基、酮基或二甲基氨基取代，和/或可被氧原子打断；每个 R'3 和 R'4 独立地为氢原子或甲基。优选地，n 是 6 到 10 的整数，R'1 和 R'2 独立地是氢原子或甲基，R'3 和 R'4 是氢原子。这些化合物可用于治疗或预防败血症综合征、造血或器官毒性、细胞毒性疗法引起的秃头、脱发或脱发症，以及炎症或自身免疫性疾病的恶化等。
• SUBSTITUTED AMINO ALKYL COMPOUNDS
  申请人：CELL THERAPEUTICS, INC.

  公开号：EP0623133B1

  公开（公告）日：2004-09-22
• HYDROXYL-CONTAINING COMPOUNDS
  申请人：CELL THERAPEUTICS, INC.

  公开号：EP0669825A1

  公开（公告）日：1995-09-06
• EP0669825A4
  申请人：——

  公开号：EP0669825A4

  公开（公告）日：1996-04-03
• Hydroxyl-containing compounds
  申请人：Cell Therapeutics, Inc.

  公开号：US20030207901A1

  公开（公告）日：2003-11-06

  Disclosed are therapeutic compounds having the formula: (R) j -(CORE MOIETY), including resolved enantiomers, diastereomers, hydrates, salts, solvates and mixtures thereof. j is an integer from one to three, the core moiety is a bicyclic ring structure having at least one heterocyclic ring that contains five to six ring atoms and up to two nitrogen heteroatoms. R is selected from the group consisting of hydrogen, halogen, hydroxyl, amino, substituted or unsubstituted benzyl, C 1-6 alkyl or C 1-6 alkenyl, and at least one R has the formula I: 1 n is an integer from 1 to 20, at least one of X or Y is —OH. Another of X or Y, which is not —OH, is hydrogen, CH 3 —, CH 3 —CH 2 —, CH 3 —(CH 2 ) 2 — or (CH 3 ) 2 —CH 2 —, and each W 1 , W 2 , and W 3 is independently hydrogen, CH 3 —, CH 3 —CH 2 —, CH 3 —(CH 2 ) 2 — or (CH 3 ) 2 —CH 2 —. The X, Y, W 1 , W 2 , or W 3 alkyl groups may be unsubstituted or substituted by an hydroxyl, halo or dimethylamino group. The disclosed compounds and therapeutic compositions thereof are useful in treating individuals having a disease or treatment-induced toxicity, mediated by second messenger activity.