2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetyl chloride | 68293-40-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetyl chloride
• CAS: 68293-40-3
• 化学式: C₁₄H₁₅ClO
• 分子量: 234.726
• InChiKey: CTSIRDSABSXYKN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetyl chloride 在 吡啶 、 copper(l) iodide 、 sodium hydroxide 、 N,N'-二甲基乙二胺 作用下， 以 1,4-二氧六环 、 水 、 甲苯 为溶剂， 反应 29.0h， 生成 3-((1,2,3,5,6,7-hexahydro-s-indacen-4-yl)methyl)-5-((1-isopropyl-1H-pyrazol-3-yl)thio)-4H-1,2,4-triazole
  参考文献：
  名称：

  [EN] NOVEL COMPOUNDS
  [FR] NOUVEAUX COMPOSÉS

  摘要：

  本发明涉及取代的含氮杂环化合物，例如磺酰基三唑，其中杂环环进一步取代，可选地通过类似-NH-的连接基团，与环状基团相连，该环状基团在α-位置进一步取代。本发明还涉及相关的盐、溶剂合物、前药和药物组合物，以及这些化合物在治疗和预防医学疾病和疾病中的使用，尤其是通过NLRP3抑制。

  公开号：

  WO2019211463A1
• 作为产物：
  描述：

  4-(chloromethyl)-s-hydrindacene 在 氯化亚砜 、 硫酸 作用下， 以 溶剂黄146 、 二甲基亚砜 、 苯 为溶剂， 生成 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetyl chloride
  参考文献：
  名称：

  2-(s-Hydrindacen-4-yl)ethylamines and their 1-methyl and 1,1-dimethyl derivatives; Synthesis and pharmacological screening

  摘要：

  DOI：

  10.1135/cccc19781732

文献信息

• [EN] NLRP3 INHIBITORS<br/>[FR] INHIBITEURS DE NLRP3
  申请人：INFLAZOME LTD

  公开号：WO2020104657A1

  公开（公告）日：2020-05-28

  The present application relates to compounds with NLRP3inhibitory activity and to associated salts, solvates, prodrugs and pharmaceutical compositions. The present application further relates to the use of such compounds in the treatment and prevention of medical disorders and diseases, most especially by NLRP3inhibition.

  本申请涉及具有NLRP3抑制活性的化合物及其相关盐、溶剂合物、前药和药物组合物。本申请进一步涉及利用这些化合物在治疗和预防医学疾病和疾病中的应用，尤其是通过NLRP3抑制。
• [EN] SULFONAMIDE DERIVATIVES AND USES THEREOF<br/>[FR] DÉRIVÉS DE SULFONAMIDE ET LEURS UTILISATIONS
  申请人：NODTHERA LTD

  公开号：WO2020249669A1

  公开（公告）日：2020-12-17

  The present disclosure relates to compounds of Formula (I) or (II): and to their prodrugs, pharmaceutically acceptable salts, pharmaceutical compositions, methods of use, and methods for their preparation. The compounds disclosed herein are useful for inhibiting the maturation of cytokines of the IL-1 family by inhibiting inflammasomes and may be used in the treatment of disorders in which inflammasome activity is implicated, such as inflammatory, autoinflammatory and autoimmune diseases and cancers.

  本公开涉及式（I）或（II）的化合物，以及它们的前药、药用盐、药物组合物、使用方法和制备方法。本文披露的化合物可用于通过抑制炎症小体来抑制IL-1家族细胞因子的成熟，并可用于治疗涉及炎症小体活性的疾病，如炎症性、自身免疫性和自身免疫性疾病以及癌症。
• [EN] SULFONAMIDE DERIVATES AS NLRP3 INHIBITORS<br/>[FR] DÉRIVÉS DE SULFONAMIDE UTILISÉS EN TANT QU'INHIBITEURS DE NLRP3
  申请人：INFLAZOME LTD

  公开号：WO2019166633A1

  公开（公告）日：2019-09-06

  The present invention relates to compounds of formula (I) : (I) wherein Q is selected from O or S; R1 is an optionally substituted hydrocarbyl group which may optionally include one or more heteroatoms N, O or S in its carbon skeleton, provided that the hydrocarbyl group includes at least one heteroatom N, O or S in its carbon skeleton or is substituted with a substituent comprising at least one heteroatom N, O or S, and provided that the atom of R1 which is attached to the sulfur atom of the remainder of the molecule is not a ring atom of a cyclic group; R2 is an α,α'-substituted cyclic group which may optionally be further substituted; R3 and R4 are each independently hydrogen, halogen, -OH, -NH2, -CN, -R5, -OR5, -NHRs or -N(R5)2; or R3 and R4 together with the carbon atom to which they are attached may form a 3- to 7- membered saturated or unsaturated, optionally substituted cyclic group; and R5 is independently optionally substituted C1-C4 alkyl. 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：(I)其中Q从O或S中选择；R1是一个可选择取代的烃基，其在碳骨架中可能包含一个或多个杂原子N、O或S，前提是烃基在其碳骨架中至少包含一个杂原子N、O或S，或者被一个含有至少一个杂原子N、O或S的取代基所取代，并且前提是R1的原子与分子的其余部分的硫原子相连的原子不是一个环的原子；R2是一个α，α'-取代的环基，可选择进一步取代；R3和R4各自独立地是氢、卤素、-OH、-NH2、-CN、-R5、-OR5、-NHRs或-N(R5)2；或者R3和R4与它们连接的碳原子一起可以形成一个3-至7-成员的饱和或不饱和、可选择取代的环基；R5独立地是可选择取代的C1-C4烷基。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，以及这些化合物在治疗和预防医学障碍和疾病中的用途，尤其是通过抑制NLRP3。
• Compounds
  申请人：Inflazome Limited

  公开号：US11530200B2

  公开（公告）日：2022-12-20

  The present invention relates to compounds of formula (I), wherein Q is selected from O or S; R 1 is a 5- or 6-membered heteroaryl group consisting of one or more carbon atoms, and one or more nitrogen and/or oxygen atoms, and substituted with a monovalent, optionally substituted cycloalkyl, cycloalkenyl or heterocyclic group, wherein the 5- or 6-membered heteroaryl group of R 1 may optionally be further substituted; R 2 is an α,α′-substituted cyclic group which may optionally be further substituted; R 3 and R 4 are each independently hydrogen, halogen, —OH, —NH 2 , —CN, —R 5 , —OR 5 , —NHR 5 or —N(R 5 ) 2 ; or R 3 and R 4 together with the carbon atom to which they are attached may form a 3- to 7-membered saturated or unsaturated, optionally substituted cyclic group; and R 5 is independently an optionally substituted C 1 -C 4 alkyl group. 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）化合物，其中 Q 选自 O 或 S；R 1 是由一个或多个碳原子、一个或多个氮原子和/或氧原子组成的 5 或 6 元杂芳基，并被一个单价的、任选取代的环烷基、环烯基或杂环基取代，其中 R 1 的 5 或 6 元杂芳基 1 可任选被进一步取代 2 是 α、α′-取代的环基，可任选被进一步取代； R 2 3 和 R 4 各自独立地为氢、卤素、-OH、-NH 2 、-CN、-R 5 、-OR 5 ，-NHR 5 或-N(R 5 ) 2 或 R 3 和 R 4 连同它们所连接的碳原子可形成一个 3 至 7 元饱和或不饱和、任选取代的环状基团；以及 R 5 独立地为任选取代的 C 1 -C 4 烷基。本发明进一步涉及这类化合物的盐、溶液剂和原药，涉及包含这类化合物的药物组合物，涉及这类化合物在治疗和预防医学紊乱和疾病中的用途，特别是通过抑制 NLRP3。
• WO2020102100A5
  申请人：——

  公开号：WO2020102100A5

  公开（公告）日：2022-11-21