1-(5-Hydroxyhexyl)-3-methylxanthine | 38975-29-0

• 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-(5-Hydroxyhexyl)-3-methylxanthine
• 英文别名: 1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione
• CAS: 38975-29-0
• 化学式: C₁₂H₁₈N₄O₃
• 分子量: 266.3
• InChiKey: BMMSHXKNEHRMPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  89.5
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• [EN] SUBSTITUTED XANTHINE DERIVATIVES<br/>[FR] DÉRIVÉS DE XANTHINE SUBSTITUÉS
  申请人：CONCERT PHARMACEUTICALS INC

  公开号：WO2013013052A1

  公开（公告）日：2013-01-24

  The present invention in one embodiment relates to a compound of Formula (I); or a pharmaceutically acceptable salt thereof, wherein: each of R1 and R2 is independently selected from -CH3 and -CD3; R3 is hydrogen or deuterium; each of Z1, Z2 and Z3 is independently selected from hydrogen and deuterium; each Z4 is hydrogen or deuterium; each Z5 is hydrogen or deuterium; and each Z6 is hydrogen or deuterium.

  在一个实施例中，本发明涉及一种化合物，其化学式为（I）；或其药用可接受的盐，其中：R1和R2中的每一个可独立选择自-CH3和-CD3；R3是氢或氘；Z1、Z2和Z3中的每一个可独立选择自氢和氘；每个Z4是氢或氘；每个Z5是氢或氘；每个Z6是氢或氘。
• Substituted xanthine derivatives
  申请人：Tung Roger D.

  公开号：US20090239886A1

  公开（公告）日：2009-09-24

  This invention relates to novel compounds that are substituted xanthine derivatives and pharmaceutically acceptable salts thereof. For example, this invention relates to novel substituted xanthine derivatives that are derivatives of pentoxifylline. This invention also provides compositions comprising one or more compounds of this invention and a carrier and the use of the disclosed compounds and compositions in methods of treating diseases and conditions for which pentoxifylline and related compounds are beneficial.

  本发明涉及新型化合物，即取代黄嘌呤衍生物及其药学上可接受的盐。例如，本发明涉及新型取代黄嘌呤衍生物，它们是戊酰异丙基黄嘌呤的衍生物。本发明还提供了包含本发明中的一种或多种化合物和载体的组合物，以及把所述化合物和组合物用于治疗戊酰异丙基黄嘌呤和相关化合物有益的疾病和病况的方法。
• Therapeutic compounds for inhibiting interleukin-12 signaling and methods for using same
  申请人：Klein Peter J.

  公开号：US20050049262A1

  公开（公告）日：2005-03-03

  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 lnterleukin-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.

  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与受白细胞介素-12（“IL-12”）细胞内信号传导影响的疾病症状或表现，例如Th1细胞介导的疾病。治疗化合物，药学上可接受的衍生物（例如，解析对映体，非对映体，互变异构体，其盐和溶剂化物）或其前药，具有以下通用公式： 每个X，Y和Z独立地从C（R3），N，N（R3）和S组成的组中选择。每个R1，R2和R3被取代或未取代，并且独立地从氢，卤素，氧代，C（1-20）烷基，C（1-20）羟基烷基，C（1-20）硫代烷基，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）烷基酰胺基，C（1-20）烷基酰胺基烷基，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）二烷氧基烷基中独立选择。
• SUBSTITUTED XANTHINE DERIVATIVES
  申请人：Aslanian Ara

  公开号：US20140296263A1

  公开（公告）日：2014-10-02

  The present invention in one embodiment relates to a compound of Formula (I); or a pharmaceutically acceptable salt thereof, wherein: each of R 1 and R 2 is independently selected from —CH 3 and —CD 3 ; R 3 is hydrogen or deuterium; each of Z 1 , Z 2 and Z 3 is independently selected from hydrogen and deuterium; each Z 4 is hydrogen or deuterium; each Z 5 is hydrogen or deuterium; and each Z 6 is hydrogen or deuterium.

  本发明在一种实施例中涉及化合物(I)的一种；或其药学上可接受的盐，其中：R1和R2各自独立地选自—CH3和—CD3；R3是氢或氘；Z1、Z2和Z3各自独立地选自氢和氘；每个Z4是氢或氘；每个Z5是氢或氘；每个Z6是氢或氘。
• Use of xanthines for the preparation of a medicament effective for inhibiting the replication of human retroviruses
  申请人：HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED

  公开号：EP0484785A2

  公开（公告）日：1992-05-13

  A family of compounds effective in inhibiting replication of a human retrovirus is comprised of 7-(oxoalkyl) 1,3-dialkyl xanthines of the formula: in which R1 and R2 are the same or different and are selected from the group consisting of straight-chain or branched alkyl radicals with 2 to 6 carbon atoms, cyclohexyl, alkoxyalkyl and hydroxyalkyl radicals, and A represents a hydrocarbon radical with up to 4 carbon atoms which can be substituted by a methyl group. Another family of effective compounds is comprised of compounds of the formula: wherein at least one of R1 and R3 is either a) a branched hydroxyalkyl group of the formula in which R4 stands for an alkyl group with 1 to 3 carbon atoms and n stands for a whole number from 2 to 5, the other R1 or R3 group that may optionally be present stands for a hydrogen atom or on aliphatic hydrocarbon group R5 with up to 6 carbon atoms, whose carbon chain may be interrupted by up to 2 oxygen atoms or may be substituted with a hydroxy or oxo group, or b) an oxoallyl group of the formula wherein R6 is C1 -C6 and p is 2, 3 or 4, the remaining R1 or R3 being as defined above, and R2 is an alkyl group C1-C4.The inhibition of replication of human retroviruses is indicated in humans infected by human immunodeficiency virus (HIV) or susceptible to HIV infection.

  一种能有效抑制人类逆转录病毒复制的化合物家族由式 7-(氧代烷基)1,3-二烷基黄嘌呤组成： 其中 R1 和 R2 相同或不同，且选自由 2 至 6 个碳原子的直链或支链烷基、环己基、烷氧基烷基和羟基烷基组成的组，A 代表最多 4 个碳原子的烃基，可被甲基取代。另一个有效化合物家族由以下式子的化合物组成： 其中 R1 和 R3 中至少有一个是 a) 式中的支链羟烷基 其中 R4 代表具有 1 至 3 个碳原子的烷基，n 代表 2 至 5 的整数，另一个可选的 R1 或 R3 基团代表氢原子或具有最多 6 个碳原子的脂肪族烃基 R5，其碳链可被最多 2 个氧原子打断，或可被羟基或氧代基团取代，或 b) 式中的氧代烯丙基 其中 R6 为 C1 -C6，p 为 2、3 或 4，其余 R1 或 R3 如上定义，R2 为 C1-C4 烷基。抑制人类逆转录病毒的复制适用于感染人类免疫缺陷病毒（HIV）或易感染 HIV 的人类。