chloro-6-dimethyl-5,10-11H-pyrido<3',2':4,5>pyrrolo<2,3-g>isoquinolines | 79238-06-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: chloro-6-dimethyl-5,10-11H-pyrido<3',2':4,5>pyrrolo<2,3-g>isoquinolines
• 英文别名: 6-chloro-5,10-dimethyl-11H-pyrido[3',2':4,5]pyrrolo[3,2-g]isoquinoline；7-chloro-2,9-dimethyl-6,15,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
• CAS: 79238-06-5
• 化学式: C₁₆H₁₂ClN₃
• 分子量: 281.744
• InChiKey: XTIKRCLAQWCTKD-UHFFFAOYSA-N

物化性质

• 熔点：
  >300 °C
• 沸点：
  538.3±45.0 °C(Predicted)
• 密度：
  1.401±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.53
• 重原子数：
  20.0
• 可旋转键数：
  0.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  41.57
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  chloro-6-dimethyl-5,10-11H-pyrido<3',2':4,5>pyrrolo<2,3-g>isoquinolines 、 3-二乙胺基丙胺 反应 5.0h， 以50%的产率得到N'-(5,10-Dimethyl-11H-pyrido[3',2':4,5]pyrrolo[3,2-g]isoquinolin-6-yl)-N,N-diethyl-propane-1,3-diamine
  参考文献：
  名称：

  11H-吡啶基[3'，2'：4,5]吡咯并[2,3- g ]异喹啉（aza-7玫瑰树碱）的6位取代基

  摘要：

  通过从2-氯-3-3开始的六步合成，获得了6-二烷基氨基烷基氨基取代的11H-吡啶基[3'，2'：4,5]吡咯并[2,3- g ]异喹啉（7-氮杂椭圆胺）。硝基吡啶和6-氨基-5-甲基（和5,8-二甲基）异喹啉-1-2H-已经描述过。对生物学结果的简要调查显示，这种新的杂环系统的衍生物与其5H-吡啶并（3'，4'：4,5]吡咯并[2,3-g]异喹啉（9-氮杂玫瑰树碱）和吡啶并[4,3- b ]咔唑（玫瑰树碱）类似物。

  DOI：

  10.1016/s0040-4020(01)97964-5
• 作为产物：
  描述：

  2,5-二甲基硝基苯 在 盐酸 、 三正丁胺 、 叠氮磷酸二苯酯 、 氢气 、 溶剂黄146 、 三乙胺 、 sodium chloride 、 三氯氧磷 作用下， 以 二苯醚 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 生成 chloro-6-dimethyl-5,10-11H-pyrido<3',2':4,5>pyrrolo<2,3-g>isoquinolines
  参考文献：
  名称：

  Synthesis and activity of a novel inhibitor of nonsense-mediated mRNA decay

  摘要：

  开发了一种新的合成四环内酰胺的途径，所得产物被称为VG1，发现其在微摩尔浓度下抑制无义介导的mRNA降解。

  DOI：

  10.1039/c5ob02482j

文献信息

• NOVEL COMPOUNDS DERIVED FROM INDOLE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  申请人：Lejeune Fabrice

  公开号：US20110003843A1

  公开（公告）日：2011-01-06

  The present invention relates to a compound derived from indole corresponding to the following formula II: wherein X represents N, CR8 or N + R8, wherein R8 represents a hydrogen atom, a hydroxyl or alkyl or methoxy group optionally substituted with a phenyl group; R2, R3 and R4 independently represent a hydrogen atom or a halogen atom or an optionally substituted alkyl, amine, alkene, ester, sulfonamide, ether or benzyl group; R5 represents a hydrogen atom or an optionally substituted, saturated or unsaturated alkyl group, amine, benzyl group; R6 represents an optionally substituted C1-C3 alkyl group; R7 represents a hydrogen atom or an optionally substituted C1-C3 alkyl group and R7 is absent when the ring A is in the b position, and A represents a ring; R9 and R10 represent together a carbon bond or independently represent an R11 OR11, SR11 group; wherein R11 represents a hydrogen atom, an optionally substituted, saturated or unsaturated, C1-C3 alkyl group, which may contain one or more sulfur, oxygen or nitrogen atoms; pharmaceutically acceptable salts of said compounds, their isomers and/or a mixture thereof; pharmaceutical composition comprising such a compound; the use of such a compound for preparing a drug intended to treat a genetic disease resulting from at least one mutation causing the occurrence of an early termination codon.

  本发明涉及一种从吲哚衍生的化合物，对应于以下公式II： 其中，X表示N，CR8或N+R8，其中R8表示氢原子，羟基或烷基或甲氧基，可选地取代为苯基；R2、R3和R4分别表示氢原子或卤素原子或可选地取代的烷基、胺基、烯烃、酯、磺酰胺、醚或苄基；R5表示氢原子或可选地取代的饱和或不饱和烷基、胺基、苄基；R6表示可选地取代的C1-C3烷基；R7表示氢原子或可选地取代的C1-C3烷基，当环A在b位置时，R7不存在；A表示一个环；R9和R10共同表示碳键，或分别表示R11 OR11、SR11基团；其中，R11表示氢原子、可选地取代的饱和或不饱和的C1-C3烷基，可以含有一个或多个硫、氧或氮原子；该化合物的药学可接受盐、其异构体和/或混合物；包括这种化合物的药物组合物；使用这种化合物制备用于治疗由至少一个突变引起的早期终止密码子出现的遗传疾病的药物。
• Methods and compounds for stimulating read-through of premature termination codons
  申请人：The UAB Research Foundation

  公开号：US10960018B2

  公开（公告）日：2021-03-30

  The present disclosure provides compositions and methods for treating and/preventing diseases and conditions associated with premature termination mutations. The methods disclosed herein comprise the step of administering to the subject a therapeutically effective dose of a compound described herein that induces read-through of the premature termination codon. The methods of the present disclosure may further comprise treating the subject with enzyme replacement therapy wherein the enzyme replacement therapy is selected for the disease or condition to be treated. Furthermore, the present disclosure provides method of pharmacologically suppressing premature termination codons in a subject in need of such suppression.

  本公开提供了用于治疗和/或预防与过早终止突变相关的疾病和病症的组合物和方法。本文公开的方法包括向受试者施用治疗有效剂量的本文所述化合物的步骤，该化合物可诱导过早终止密码子的读通。本公开的方法可进一步包括用酶替代疗法治疗受试者，其中酶替代疗法是针对待治疗的疾病或病症选择的。此外，本公开还提供了在需要抑制过早终止密码子的受试者中药理学抑制过早终止密码子的方法。
• RIVALLE, C.;DUCROCQ, C.;LHOSTE, J. -M.;WENDLING, F.;BISAGNI, E.;CHERMANN,+, TETRAHEDRON, 1981, 37, N 11, 2097-2103
  作者：RIVALLE, C.、DUCROCQ, C.、LHOSTE, J. -M.、WENDLING, F.、BISAGNI, E.、CHERMANN,+

  DOI：——

  日期：——
• COMPOSITIONS AND METHODS FOR TREATING CANCER
  申请人：Maquat Lynne E.

  公开号：US20160279110A1

  公开（公告）日：2016-09-29

  Provided herein are compositions and methods for treating cancer.
• Methods and Compounds for Stimulating Read-Through of Premature Termination Codons
  申请人：The UAB Research Foundation

  公开号：US20190125775A1

  公开（公告）日：2019-05-02

  The present disclosure provides compositions and methods for treating and/preventing diseases and conditions associated with premature termination mutations. The methods disclosed herein comprise the step of administering to the subject a therapeutically effective dose of a compound described herein that induces read-through of the premature termination codon. The methods of the present disclosure may further comprise treating the subject with enzyme replacement therapy wherein the enzyme replacement therapy is selected for the disease or condition to be treated. Furthermore, the present disclosure provides method of pharmacologically suppressing premature termination codons in a subject in need of such suppression.