1-nitro-dibenzothiophene | 195991-39-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 1-nitro-dibenzothiophene
• 英文别名: 1-Nitro-dibenzothiophen；1-Nitrodibenzothiophene
• CAS: 195991-39-0
• 化学式: C₁₂H₇NO₂S
• 分子量: 229.259
• InChiKey: KQMDOQZISNQQOT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  74.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-nitro-dibenzothiophene 在 乙醇 、 镍 作用下， 生成 1-aminodibenzothiophene
  参考文献：
  名称：

  Some 1-Substituted Dibenzothiophene Derivatives

  摘要：

  DOI：

  10.1021/ja01640a014
• 作为产物：
  描述：

  1-nitro-dibenzothiophen-2-ylamine 在 硫酸 、 sodium nitrite 作用下， 以 乙醇 为溶剂， 生成 1-nitro-dibenzothiophene
  参考文献：
  名称：

  [EN] INHIBITORS OF TRKA KINASE
  [FR] INHIBITEURS DE TRKA KINASE

  摘要：

  本发明涉及式I的化合物，该化合物是Tropomyosin-related kinase A（TrkA）的抑制剂：式（I）或其立体异构体、互变异构体或药学上可接受的盐、代谢物、同位素、溶剂合物或前药，其中，Ra、Rb、Rc、Rd、R1、R2、L和Het-Ar如本文所定义。这些化合物可用于预防和/或治疗与神经生长因子（NGF）受体TrkA的异常活动相关的疾病或障碍，如疼痛、炎症或炎症性疾病、癌症、动脉粥样硬化、再狭窄、血栓形成、神经退行性疾病、勃起功能障碍（ED）、皮肤疾病、多发性硬化、干燥综合征、子宫内膜异位症、糖尿病周围神经病变、前列腺炎、传染病、与骨重塑调节失衡相关的疾病、子宫内膜异位症、盆腔疼痛综合征以及由异常组织重塑和纤维化疾病引起的疾病；或与失髓鞘形成或脱髓鞘相关的疾病、障碍、损伤或功能障碍。

  公开号：

  WO2016116900A1

文献信息

• [EN] INHIBITORS OF TRKA KINASE<br/>[FR] INHIBITEURS DE TRKA KINASE
  申请人：GVK BIOSCIENCES PRIVATE LTD

  公开号：WO2016116900A1

  公开（公告）日：2016-07-28

  The present invention is directed to the compounds of Formula I which are inhibitors of tropomyosin-related kinase A (TrkA): Formula (I) or steroisomers, tautomers or a pharmaceutically acceptable salts, metabolites, isotopes, solvates or prodrugs thereof, wherein, Ra, Rb, Rc, Rd, R1, R2, L and Het-Ar are as defined herein. These compounds can be used for the preventive and/or therapeutic treatment of diseases or disorders associated with abnormal activities of nerve growth factor (NGF) receptor TrkA such as Pain, inflammation or an inflammatory diseases, Cancer, atherosclerosis, restenosis, thrombosis, Neurodegenerative diseases, Erectile Dysfunction (ED), Skin disorders, Autoimmune disease like Multiple sclerosis, Sjögren's syndrome, endometriosis, diabetic peripheral neuropathy, prostatitis, Infectious diseases, diseases related to an imbalance of the regulation of bone remodeling, endometriosis, pelvic pain syndrome and diseases resulting from abnormal tissue remodelling and fibrotic disorders; or a disease, disorder, injury, or malfunction relating to dysmyelination or demyelination.

  本发明涉及式I的化合物，该化合物是Tropomyosin-related kinase A（TrkA）的抑制剂：式（I）或其立体异构体、互变异构体或药学上可接受的盐、代谢物、同位素、溶剂合物或前药，其中，Ra、Rb、Rc、Rd、R1、R2、L和Het-Ar如本文所定义。这些化合物可用于预防和/或治疗与神经生长因子（NGF）受体TrkA的异常活动相关的疾病或障碍，如疼痛、炎症或炎症性疾病、癌症、动脉粥样硬化、再狭窄、血栓形成、神经退行性疾病、勃起功能障碍（ED）、皮肤疾病、多发性硬化、干燥综合征、子宫内膜异位症、糖尿病周围神经病变、前列腺炎、传染病、与骨重塑调节失衡相关的疾病、子宫内膜异位症、盆腔疼痛综合征以及由异常组织重塑和纤维化疾病引起的疾病；或与失髓鞘形成或脱髓鞘相关的疾病、障碍、损伤或功能障碍。
• [EN] DNA-PK INHIBITORS<br/>[FR] INHIBITEURS D'ADN-PK
  申请人：KUDOS PHARM LTD

  公开号：WO2006032869A1

  公开（公告）日：2006-03-30

  A compound of formula I: and isomers, salts, solvates, chemically protected forms, and prodrugs thereof, wherein: R1 and R2 are independently selected from hydrogen, an optionally substituted C1-7 alkyl group, C3-20 heterocyclyl group, or C5-20 aryl group, or may together form, along with the nitrogen atom to which they are attached, an optionally substituted heterocyclic ring having from 4 to 8 ring atoms; Q is -NH-C(=O)- or -O-; Y is an optionally substituted C1-5 alkylene group; X is selected from SR3 or NR4R5, wherein, R3, or R4 and R5 are independently selected from hydrogen, optionally substituted C1-7 alkyl, C5-20 aryl, or C3-20 heterocyclyl groups, or R4 and R5 may together form, along with the nitrogen atom to which they are attached, an optionally substituted heterocyclic ring having from 4 to 8 ring atoms; if Q is -O-, X is additionally selected from -C(=O)-NR6R7, wherein R6 and R7 are independently selected from hydrogen, optionally substituted C1-7 alkyl, C5-20 aryl, or C3-20 heterocyclyl groups, or R6 and R7 may together form, along with the nitrogen atom to which they are attached, an optionally substituted heterocyclic ring having from 4 to 8 ring atoms; and if Q is -NH-C(=O)-, -Y-X may additionally be selected from C1-7 alkyl.

  化合物I的分子式为：及其异构体、盐、溶剂和化学保护形式、以及其前药，其中：R1和R2独立选择氢、可选取代的C1-7烷基、C3-20杂环基或C5-20芳基，或者与它们连接的氮原子一起形成一个可选取代的杂环环，其具有4至8个环原子；Q为-NH-C（=O）-或-O-；Y为可选取代的C1-5烷基；X选自SR3或NR4R5，其中R3，或R4和R5独立选择氢、可选取代的C1-7烷基、C5-20芳基或C3-20杂环基，或者R4和R5可以与它们连接的氮原子一起形成一个可选取代的杂环环，其具有4至8个环原子；如果Q为-O-，X还被选自-C（=O）-NR6R7，其中R6和R7独立选择氢、可选取代的C1-7烷基、C5-20芳基或C3-20杂环基，或者R6和R7可以与它们连接的氮原子一起形成一个可选取代的杂环环，其具有4至8个环原子；如果Q为-NH-C（=O）-，-Y-X还可以被选自C1-7烷基。
• DNA-PK inhibitors
  申请人：Smith Cameron Murray Graeme

  公开号：US20060106025A1

  公开（公告）日：2006-05-18

  A compound of formula I: and isomers, salts, solvates, chemically protected forms, and prodrugs thereof, wherein: R 1 and R 2 are independently selected from hydrogen, an optionally substituted C 1-7 alkyl group, C 3-20 heterocyclyl group, or C 5-20 aryl group, or may together form, along with the nitrogen atom to which they are attached, an optionally substituted heterocyclic ring having from 4 to 8 ring atoms; Q is —NH—C(═O)— or —O—; Y is an optionally substituted C 1-5 alkylene group; X is selected from SR 3 or NR 4 R 5 , wherein, R 3 , or R 4 and R 5 are independently selected from hydrogen, optionally substituted C 1-7 alkyl, C 5-20 aryl, or C 3-20 heterocyclyl groups, or R 4 and R 5 may together form, along with the nitrogen atom to which they are attached, an optionally substituted heterocyclic ring having from 4 to 8 ring atoms; if Q is —O—, X is additionally selected from —C(═O)—NR 6 R 7 , wherein R 6 and R 7 are independently selected from hydrogen, optionally substituted C 1-7 alkyl, C 5-20 aryl, or C 3-20 heterocyclyl groups, or R 6 and R 7 may together form, along with the nitrogen atom to which they are attached, an optionally substituted heterocyclic ring having from 4 to 8 ring atoms; and if Q is —NH—C(═O)—, —Y—X may additionally be selected from C 1-7 alkyl.

  化合物的化学式为I，包括其异构体、盐、溶剂合物、化学保护形式和前药，其中：R1和R2分别选自氢、可选取代的C1-7烷基、C3-20杂环基或C5-20芳基，或者与它们所连接的氮原子一起形成可选取代的含有4到8个环原子的杂环环；Q为—NH—C(═O)—或—O—；Y为可选取代的C1-5烷基；X选自SR3或NR4R5，其中，R3、R4或R5分别选自氢、可选取代的C1-7烷基、C5-20芳基或C3-20杂环基，或者R4和R5可以与它们所连接的氮原子一起形成可选取代的含有4到8个环原子的杂环环；如果Q为—O—，则X还选自—C(═O)—NR6R7，其中R6和R7分别选自氢、可选取代的C1-7烷基、C5-20芳基或C3-20杂环基，或者R6和R7可以与它们所连接的氮原子一起形成可选取代的含有4到8个环原子的杂环环；如果Q为—NH—C(═O)—，则—Y—X还可以选自C1-7烷基。
• Dna-Pk Inhibitors
  申请人：Smith Cameron Murray Graeme

  公开号：US20070238731A1

  公开（公告）日：2007-10-11

  A compound of formula I: and isomers, salts, solvates, chemically protected forms, and prodrugs thereof, wherein: R 1 and R 2 are independently selected from hydrogen, an optionally substituted C 1-7 alkyl group, C 3-20 heterocyclyl group, or C 5-20 aryl group, or may together form, along with the nitrogen atom to which they are attached, an optionally substituted heterocyclic ring having from 4 to 8 ring atoms; Q is —NH—C(═O)— or —O—; Y is an optionally substituted C 1-5 alkylene group; X is selected from SR 3 or NR 4 R 5 , wherein, R 3 or R 4 and R 5 are independently selected from hydrogen, optionally substituted C 1-7 alkyl, C 5-20 aryl, or C 3-20 heterocyclyl groups, or R 4 and R 5 may together form, along with the nitrogen atom to which they are attached, an optionally substituted heterocyclic ring having from 4 to 8 ring atoms; if Q is —O—, X is additionally selected from —C(═O)—NR 6 R 7 , wherein R 6 and R 7 are independently selected from hydrogen, optionally substituted C 1-7 alkyl, C 5-20 aryl, or C 3-20 heterocyclyl groups, or R 6 and R 7 may together form, along with the nitrogen atom to which they are attached, an optionally substituted heterocyclic ring having from 4 to 8 ring atoms; and if Q is —NH—C(═O)—, —Y—X may additionally be selected from C 1-7 alkyl.

  化合物I的化学式为：以及其异构体、盐、溶剂合物、化学保护形式和前药，其中：R1和R2独立地选自氢、可选择性地取代的C1-7烷基、C3-20杂环基或C5-20芳基，或者与它们连接的氮原子一起形成具有4至8个环原子的可选择性地取代的杂环环；Q为—NH—C(═O)—或—O—；Y为可选择性地取代的C1-5烷基；X选自SR3或NR4R5，其中，R3或R4和R5独立地选自氢、可选择性地取代的C1-7烷基、C5-20芳基或C3-20杂环基，或者R4和R5可以与它们连接的氮原子一起形成具有4至8个环原子的可选择性地取代的杂环环；如果Q为—O—，则X还可以从—C(═O)—NR6R7中选取，其中R6和R7独立地选自氢、可选择性地取代的C1-7烷基、C5-20芳基或C3-20杂环基，或者R6和R7可以与它们连接的氮原子一起形成具有4至8个环原子的可选择性地取代的杂环环；如果Q为—NH—C(═O)—，则—Y—X还可以从C1-7烷基中选取。
• DNA-PK INHIBITORS
  申请人：Smith Graeme Cameron Murray

  公开号：US20080242664A1

  公开（公告）日：2008-10-02

  A compound of formula I: and isomers, salts, solvates, chemically protected forms, and prodrugs thereof, wherein: R 1 and R 2 are independently selected from hydrogen, an optionally substituted C 1-7 alkyl group, C 3-20 heterocyclyl group, or C 5-20 aryl group, or may together form, along with the nitrogen atom to which they are attached, an optionally substituted heterocyclic ring having from 4 to 8 ring atoms; Q is —NH—C(═O)— or —O—; Y is an optionally substituted C 1-5 alkylene group; X is selected from SR 3 or NR 4 R 5 , wherein, R 3 , or R 4 and R 5 are independently selected from hydrogen, optionally substituted C 1-7 alkyl, C 5-20 aryl, or C 3-20 heterocyclyl groups, or R 4 and R 5 may together form, along with the nitrogen atom to which they are attached, an optionally substituted heterocyclic ring having from 4 to 8 ring atoms; if Q is —O—, X is additionally selected from —C(═O)—NR 6 R 7 , wherein R 6 and R 7 are independently selected from hydrogen, optionally substituted C 1-7 alkyl, C 5-20 aryl, or C 3-20 heterocyclyl groups, or R 6 and R 7 may together form, along with the nitrogen atom to which they are attached, an optionally substituted heterocyclic ring having from 4 to 8 ring atoms; and if Q is —NH—C(═O)—, —Y—X may additionally be selected from C 1-7 alkyl.

  化合物I的公式：及其异构体、盐、溶剂合物、化学保护形式和其前药，其中：R1和R2独立选择氢、可选取代的C1-7烷基、C3-20杂环基或C5-20芳基，或者与它们连接的氮原子一起形成一个可选取代的杂环环，该环具有4至8个环原子；Q为—NH—C(═O)—或—O—；Y为可选取代的C1-5烷基；X选自SR3或NR4R5，其中R3或R4和R5独立选择氢、可选取代的C1-7烷基、C5-20芳基或C3-20杂环基，或者R4和R5与它们连接的氮原子一起形成一个可选取代的杂环环，该环具有4至8个环原子；如果Q为—O—，则X还选自—C(═O)—NR6R7，其中R6和R7独立选择氢、可选取代的C1-7烷基、C5-20芳基或C3-20杂环基，或者R6和R7与它们连接的氮原子一起形成一个可选取代的杂环环，该环具有4至8个环原子；如果Q为—NH—C(═O)—，则—Y—X还可以选自C1-7烷基。