CT 11495 | 301536-52-7

• 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: CT 11495
• 英文别名: (R)-3-(5-Hydroxyhexyl)-1,7-dimethylxanthine；3-[(5R)-5-hydroxyhexyl]-1,7-dimethylpurine-2,6-dione
• CAS: 301536-52-7
• 化学式: C₁₃H₂₀N₄O₃
• 分子量: 280.327
• InChiKey: IVLTXYULUWLVRP-SECBINFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  78.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (R)-3-(5-acetoxyhexyl)-1,7-dimethylxanthine 、 盐酸 、 乙醚 在 碳酸氢钠 、 二氯甲烷 、 氯化钠 、 Sodium sulfate-III 作用下， 以 甲醇 为溶剂， 反应 4.0h， 以to give (R)-3-(5-hydroxyhexyl)-1,7-dimethylxanthine (0.20 g, 85% yield) as a colorless oil that solidified的产率得到CT 11495
  参考文献：
  名称：

  Therapeutic compounds for inhibiting interleukin-12 signals and method for using same

  摘要：

  具有六元环结构融合到五元环结构的新型杂环化合物被发现可用于治疗和预防受白细胞介素-12（“IL-12”）细胞内信号影响的疾病症状或表现，例如Th1细胞介导的疾病。这些治疗化合物、药物可接受的衍生物（例如，解决对映体、顺反异构体、互变异构体、盐和溶剂化物）或其前药具有以下通用式：每个X、Y和Z独立地选择自C（R3）、N、N（R3）和S的一员。每个R1、R2和R3都是取代或未取代的，且独立地选择自氢、卤素、氧代、C（1-20）烷基、C（1-20）羟基烷基、C（1-20）硫基烷基、C（1-20）烷基氨基、C（1-20）烷基氨基烷基、C（1-20）氨基烷基、C（1-20）氨基烷氧基烯基、C（1-20）氨基烷氧基炔基、C（1-20）二氨基烷基、C（1-20）三氨基烷基、C（1-20）四氨基烷基、C（5-15）氨基三烷氧基氨基、C（1-20）烷基酰胺、C（1-20）烷基酰胺烷基、C（1-20）酰胺基烷基、C（1-20）乙酰胺基烷基、C（1-20）烯基、C（1-20）炔基、C（3-8）烷氧基、C（1-11）烷氧基烷基和C（1-20）二烷氧基烷基。

  公开号：

  US06878715B1

文献信息

• THERAPEUTIC COMPOUNDS FOR INHIBITING INTERLEUKIN-12 SIGNALING AND METHODS FOR USING SAME
  申请人：——

  公开号：US20020028823A1

  公开（公告）日：2002-03-07

  Novel heterocyclic compounds having a six membered ring structure fused to a five membered ring structure are found to be useful for the treatment and prevention of symptoms or manifestations associated with disorders affected by Interleukin-12 (“IL-12”) intracellular signaling, such as, for example, Th1 cell-mediated disorders. The therapeutic compounds, pharmaceutically acceptable derivatives (e.g., resolved enantiomers, diastereomers, tautomers, salts and solvates thereof) or prodrugs thereof, have the following general formula: 1 Each X, Y and Z are independently selected from a member of the group consisting of C(R 3 ), N, N(R 3 ) and S. Each R 1 , R 2 and R 3 is substituted or unsubstituted and is independently selected from a member of the group consisting of hydrogen, halo, oxo, C (1-20) alkyl, C (1-20) hydroxyalkyl, C (1-20) thioalkyl, C (1-20) alkylamino, C (1-20) alkylaminoalkyl, C (1-20) aminoalkyl, C (1-20) aminoalkoxyalkenyl, C (1-20) aminoalkoxyalkynyl, C (1-20) diaminoalkyl, C (1-20) triaminoalkyl, C (1-20) tetraaminoalkyl, C (5-15) aminotrialkoxyamino, C (1-20) alkylamido, C (1-20) alkylamidoalkyl, C (1-20) amidoalkyl, C (1-20) acetamidoalkyl, C (1-20) alkenyl, C (1-20) alkynyl, C (3-8) alkoxyl, C (1-11) alkoxyalkyl, and C (1-20) dialkoxyalkyl.

  发现具有六元环结构与五元环结构融合的新型杂环化合物可用于治疗和预防与受干扰素-12（“IL-12”）细胞内信号传导影响的疾病相关的症状或表现，例如Th1细胞介导的疾病。这些治疗化合物、药学上可接受的衍生物（例如，其溶解对映体、异构体、互变异构体、盐和溶剂）或其前体具有以下一般公式：1每个X、Y和Z独立地选择自C（R3）、N、N（R3）和S所组成的成员。每个R1、R2和R3被取代或未取代，并且独立地选择自氢、卤素、氧、C（1-20）烷基、C（1-20）羟基烷基、C（1-20）硫基烷基、C（1-20）烷基氨基、C（1-20）烷基氨基烷基、C（1-20）氨基烷基、C（1-20）氨基氧基烯基、C（1-20）氨基氧基炔基、C（1-20）二氨基烷基、C（1-20）三氨基烷基、C（1-20）四氨基烷基、C（5-15）氨基三烷氧氨基、C（1-20）烷基酰胺、C（1-20）烷基酰胺烷基、C（1-20）酰胺烷基、C（1-20）乙酰胺烷基、C（1-20）烯基、C（1-20）炔基、C（3-8）烷氧基、C（1-11）烷氧基烷基和C（1-20）二烷氧基烷基。
• Therapeutic compounds for inhibiting interleukin-12 signals and method for using same
  申请人：Klein J. Peter

  公开号：US06878715B1

  公开（公告）日：2005-04-12

  Novel heterocyclic compounds having a six membered ring structure fused to a five membered ring structure are found to be useful for the treatment and prevention of symptoms or manifestations associated with disorders affected by Interleukin-12 (“IL-12”) intracellular signaling, such as, for example, Th1 cell-mediated disorders. The therapeutic compounds, pharmaceutically acceptable derivatives (e.g., resolved enantiomers, diastereomers, tautomers, salts and solvates thereof) or prodrugs thereof, have the following general formula: Each X, Y and Z are independently selected from a member of the group consisting of C(R 3 ), N, N(R 3 ) and S. Each R 1 , R 2 and R 3 is substituted or unsubstituted and is independently selected from a member of the group consisting of hydrogen, halo, oxo, C (1-20) alkyl, C (1-20) hydroxyalkyl, C (1-20) thioalkyl, C (1-20) alkylamino, C (1-20) alkylaminoalkyl, C (1-20) aminoalkyl, C (1-20) aminoalkoxyalkenyl, C (1-20) aminoalkoxyalkynyl, C (1-20) diaminoalkyl, C (1-20) triaminoalkyl, C (1-20) tetraaminoalkyl, C (5-15) aminotrialkoxyamino, C (1-20) alkylamido, C (1-20) alkylamidoalkyl, C (1-20) amidoalkyl, C (1-20) acetamidoalkyl, C (1-20) alkenyl, C (1-20) alkynyl, C (3-8) alkoxyl, C (1-11) alkoxyalkyl, and C (1-20) dialkoxyalkyl.

  发现将六元环结构融合到五元环结构的新型杂环化合物对治疗和预防与受白细胞介素-12（“IL-12”）胞内信号传导受影响的疾病相关的症状或表现是有用的，例如Th1细胞介导的疾病。这些治疗化合物、药学上可接受的衍生物（例如，其解旋异构体、二对映异构体、互变异构体、盐和溶剂）或其前药具有以下一般公式：每个X、Y和Z独立地选择自C（R3）、N、N（R3）和S的群体之一。每个R1、R2和R3被取代或未取代，并且独立地选择自氢、卤、氧、C（1-20）烷基、C（1-20）羟基烷基、C（1-20）硫烷基、C（1-20）烷基胺、C（1-20）烷基胺烷基、C（1-20）胺基烷基、C（1-20）胺基甲氧基烯基、C（1-20）胺基甲氧基炔基、C（1-20）二胺基烷基、C（1-20）三胺基烷基、C（1-20）四胺基烷基、C（5-15）氨基三烷氧基氨基、C（1-20）烷基酰胺、C（1-20）烷基酰胺烷基、C（1-20）酰胺基烷基、C（1-20）乙酰胺基烷基、C（1-20）烯基、C（1-20）炔基、C（3-8）烷氧基、C（1-11）烷氧基烷基和C（1-20）二烷氧基烷基。
• XANTHINE DERIVATIVES AND ANALOGS AS CELL SIGNALLING INHIBITORS
  申请人：CELL THERAPEUTICS, INC.

  公开号：EP1171442B1

  公开（公告）日：2005-12-07
• PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING BETA-CELL MASS AND FUNCTION
  申请人：NADLER Jerry L.

  公开号：US20080300189A1

  公开（公告）日：2008-12-04

  Pharmaceutical compositions and methods for using are provided for restoring β-cell mass and function in a mammal in need thereof. The pharmaceutical compositions have a biological response modifier and a β-cell growth factor in admixture with a pharmaceutically acceptable carrier, adjuvant or vehicle.
• ENCAPSULATION SYSTEM
  申请人：Nadler Jerry L.

  公开号：US20090269313A1

  公开（公告）日：2009-10-29

  An encapsulation system for use in the treatment of diabetes (Types 1 or 2, and LADA) are provided. The system has (1) a delivery vehicle comprising a selectively permeable membrane that allows passage of glucose, insulin and other nutrients through the membrane, but prevents large molecules such as antibodies or inflammatory cells from passing through the membrane; (2) a population of islet cells or insulin producing cells encapsulated by said membrane; and (3) a biological response modifier that may be in contact with the membrane or encapsulated by the membrane. Generally, the biological response modifier is a compound, including resolved enantiomers, diastereomers, tautomers, salts and solvates thereof, having the following formula: wherein: X, Y and Z are independently selected from a member of the group consisting of C(R 3 ), N, N(R 3 ) and S; R 1 is selected from a member of the group consisting of hydrogen, methyl, C (5-9) alkyl, C (5-9) alkenyl, C (5-9) alkynyl, C (5-9) hydroxyalkyl, C (3-8) alkoxyl, C (5-9) alkoxyalkyl, the R 1 being optionally substituted; R 2 and R 3 are independently selected from a member of the group consisting of hydrogen, halo, oxo, C (1-20) alkyl, C (1-20) hydroxyalkyl, C (1-20) thioalkyl, C (1-20) alkylamino, C (1-20) alkylaminoalkyl, C (1-20) aminoalkyl, C (1-20) aminoalkoxyalkenyl, C (1-20) aminoalkoxyalkynyl, C (1-20) diaminoalkyl, C (1-20) triaminoalkyl, C (1-20) tetraaminoalkyl, C (5-15) aminotrialkoxyamino, C (1-20) alkylamido, C (1-20) alkylamidoalkyl, C (1-20) amidoalkyl, C (1-20) acetamidoalkyl, C (1-20) alkenyl, C (1-20) alkynyl, C (3-8) alkoxyl, C (1-11) alkoxyalkyl, and C (1-20) dialkoxyalkyl.