2,3,4,5,6,7,8,9-八氢-9-甲基-1H-咔唑 | 23518-22-1

• 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
• 中文名称: 2,3,4,5,6,7,8,9-八氢-9-甲基-1H-咔唑
• 英文名称: N-Methyl-1,2,3,4,5,6,7,8-octahydrocarbazol
• 英文别名: N-Methyl-octahydrocarbazole；9-methyl-1,2,3,4,5,6,7,8-octahydrocarbazole
• CAS: 23518-22-1
• 化学式: C₁₃H₁₉N
• 分子量: 189.301
• InChiKey: HKJGFGUEJZPZOO-UHFFFAOYSA-N

物化性质

• 沸点：
  313.4±11.0 °C(Predicted)
• 密度：
  1.13±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  4.9
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  2,3,4,5,6,7,8,9-八氢-9-甲基-1H-咔唑 在 盐酸 、 tin 作用下， 生成 9-methyl-1,2,3,4,4a,5,6,7,8,9a-decahydro-carbazole
  参考文献：
  名称：

  v. Braun; Ritter, Chemische Berichte, 1922, vol. 55, p. 3795

  摘要：

  DOI：
• 作为产物：
  描述：

  2,3,4,9-四氢-9-甲基-1H-咔唑 在 镍 作用下， 210.0~215.0 ℃ 、2.53 MPa 条件下， 生成 2,3,4,5,6,7,8,9-八氢-9-甲基-1H-咔唑
  参考文献：
  名称：

  v. Braun; Schoernig, Chemische Berichte, 1925, vol. 58, p. 2160

  摘要：

  DOI：

文献信息

• [EN] NOVEL SULFONAMIDE CARBOXAMIDE COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS DE SULFONAMIDE CARBOXAMIDE
  申请人：INFLAZOME LTD

  公开号：WO2019008025A1

  公开（公告）日：2019-01-10

  The present invention relates to compounds of formula (I) wherein Q is selected from O or S; R1 is a non-aromatic heterocyclic group comprising at least one ring nitrogen atom, wherein R1 is attached to the sulfur atom of the sulfonylurea group by a ring carbon atom, and wherein R1 may optionally be substituted; and R2 is a cyclic group substituted at the α-position, wherein R2 may optionally be further substituted. The present invention further relates to salts, solvates and prodrugs of such compounds, to pharmaceutical compositions comprising such compounds, and to the use of such compounds in the treatment and prevention of medical disorders and diseases, most especially by the inhibition of NLRP3.

  本发明涉及式（I）的化合物，其中Q从O或S中选择；R1是一个非芳香杂环基团，包括至少一个环氮原子，其中R1通过一个环碳原子连接到磺酰脲基团的硫原子，并且R1可以选择性地被取代；R2是在α位被取代的环基团，其中R2也可以选择性地被进一步取代。本发明还涉及这些化合物的盐、溶剂合物和前药，包括这些化合物的药物组合物，以及利用这些化合物治疗和预防医学疾病和疾病的用途，尤其是通过抑制NLRP3。
• [EN] NOVEL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS
  申请人：INFLAZOME LTD

  公开号：WO2019068772A1

  公开（公告）日：2019-04-11

  The present invention relates to compounds of formula (I): wherein Q is selected from O or S; R1 is a saturated or unsaturated hydrocarbyl group, wherein the hydrocarbyl group may be straight-chained or branched, or be or include cyclic groups, wherein the hydrocarbyl group may optionally be substituted, and wherein the hydrocarbyl group may optionally include one or more heteroatoms N, O or S in its carbon skeleton; and R2 is a cyclic group substituted at the a-position, wherein R2 may optionally be further substituted. The present invention further relates to salts, solvates and prodrugs of such compounds, to pharmaceutical compositions comprising such compounds, and to the use of such compounds in the treatment and prevention of medical disorders and diseases, most especially by the inhibition of NLRP3.

  本发明涉及以下式(I)的化合物：其中Q从O或S中选择；R1是饱和或不饱和的烃基团，其中烃基团可以是直链或支链的，或者包括环状基团，其中烃基团可以选择性地被取代，并且其中烃基团的碳骨架中可以选择性地包含一个或多个杂原子N、O或S；以及R2是在α位取代的环状基团，其中R2可以选择性地进一步取代。本发明还涉及这些化合物的盐、溶剂合物和前药，包括这些化合物的药物组合物，以及利用这些化合物治疗和预防医学疾病和疾病的用途，尤其是通过抑制NLRP3。
• xxx As di-aryxxx equivalents in polycyclic axxx synthesis
  作者：Harold Hart、Chung-yin Lai、Godson Chukuemeka Nwokogu、Shamouil Shamouilian

  DOI：10.1016/s0040-4020(01)87696-1

  日期：1987.1

  with one or two equivalents of -butyllithum and various dienes (furans, pyrroles, cyclopentadienes, fulvenes) to form mono- or bis-cycloadducts. Highly substituted arenes can be obtained by removing the oxygen or nitrogens bridges from the furan or pyrrole adducts. By choice of conditions, two identical or two different rings can be fused to the di-aryne epuivalent. Improved short syntheses of permethylnaphthalene

  1,2,4,5-四溴苯和类似的萘并萘烷与一或两当量的丁基锂和各种二烯（呋喃，吡咯，环戊二烯，富烯）反应形成单环或双环加合物。通过从呋喃或吡咯加合物中除去氧或氮桥，可以获得高度取代的芳烃。通过选择条件，可以将两个相同或两个不同的环稠合至二芳烃表位。描述了改进的全甲基萘，-蒽和-并四苯的短合成方法。提出了一种新的三苯撑合成。
• Solvent free selective dehydrogenation of indolic and carbazolic molecules with an iridium pincer catalyst
  作者：Daniel F. Brayton、Craig M. Jensen

  DOI：10.1039/c4cc02073a

  日期：——

  A previously known iridium POCOP pincer catalyst was found to selectively dehydrogenate the heterocyclic portion of several indolic and carbazolic molecules. These molecules were found to have an "activity window" (172-178 °C) upon which only the heterocyclic ring underwent dehydrogenation. All reactions were run solvent free, yields for selected substrates were excellent, and the products were isolated

  发现一种先前已知的铱POCOP夹钳催化剂选择性地使几个吲哚和咔唑分子的杂环部分脱氢。发现这些分子具有“活性窗口”（172-178℃），在该窗口上仅杂环经历了脱氢。所有反应均在无溶剂条件下进行，所选底物的收率非常好，并且通过蒸馏或氧化铝栓塞过滤分离了产物。
• [EN] SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME<br/>[FR] SULFONYLURÉES ET COMPOSÉS APPARENTÉS ET LEUR UTILISATION
  申请人：UNIV QUEENSLAND

  公开号：WO2017140778A1

  公开（公告）日：2017-08-24

  The present invention relates to compounds of formula (I), and pharmaceutically acceptable salts, solvates and prodrugs thereof: Formula (I) wherein Q is selected from O, S and Se; J is S or Se; W1 and W2, when present, are independently selected from N and C; R1 and R2 are independently selected from the group consisting of hydrogen, C1-C12alkyl, C2-C12alkenyl, C2-C12alkynyl, aryl, heterocyclyl, heteroaryl, cycloalkyl, cycloalkenyl, amino, amido, alkylthio, acyl, arylalkyl and acylamido, all of which may be optionally substituted; and wherein at least one of W1 and W2 is present and is a nitrogen atom and when R1 and R2 are cyclic then the respective W1 or W2 may form part of the ring structure. The present invention also relates to pharmaceutical compositions including such compounds, to methods of treatment using such compounds, in particular in relation to NLRP3 inflammasome mediated disorders, and to associated diagnostic uses.

  本发明涉及化合物的公式（I），以及其药学上可接受的盐、溶剂化合物和前药：公式（I）其中Q从O、S和Se中选择；J为S或Se；当存在时，W1和W2独立地从N和C中选择；R1和R2独立地从氢、C1-C12烷基、C2-C12烯基、C2-C12炔基、芳基、杂环烷基、杂芳基、环烷基、环烯基、氨基、酰胺基、烷基硫基、酰基、芳基烷基和酰胺基中选择，其中所有这些基团可能是可选地取代的；其中W1和W2中至少有一个存在且为氮原子，当R1和R2为环时，相应的W1或W2可能构成环结构的一部分。本发明还涉及包括这些化合物的药物组合物，使用这些化合物的治疗方法，特别是与NLRP3炎症小体介导的疾病相关的治疗方法，以及相关的诊断用途。