5-chloro-2-isocyanato-1,3-diisopropylbenzene | 63520-60-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-chloro-2-isocyanato-1,3-diisopropylbenzene
• 英文别名: 5-Chloro-2-isocyanato-1,3-di(propan-2-yl)benzene
• CAS: 63520-60-5
• 化学式: C₁₃H₁₆ClNO
• 分子量: 237.729
• InChiKey: LYAWGVFUGRUFEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  29.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-chloro-2-isocyanato-1,3-diisopropylbenzene 、 1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamid 在 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 反应 0.75h， 以16%的产率得到N-((4-chloro-2,6-diisopropylphenyl)carbamoyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
  参考文献：
  名称：

  [EN] NLRP3 INHIBITORS
  [FR] INHIBITEURS DE NLRP3

  摘要：

  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。

  公开号：

  WO2020104657A1
• 作为产物：
  描述：

  光气 、 4-chloro-2,6-diisopropylaniline 在 三乙胺 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 0.5h， 以95%的产率得到5-chloro-2-isocyanato-1,3-diisopropylbenzene
  参考文献：
  名称：

  Synthesis of covalent [14C]-labeled diarylsulfonylurea (DASU) inhibitors of the processing and release of IL-1

  摘要：

  CP-452,759和CP-470,947是两种共价[14C]标记的二苯磺酰脲（DASU）抑制剂，已合成用于抑制人单核细胞中IL-1的加工和释放。放射合成利用[14C]标记的光气制备标记的异氰酸酯，这些异氰酸酯与环氧化物磺酰胺偶联，从而得到[14C]标记的DASU。这些工具应能促进未来旨在纯化和鉴定DASU结合蛋白的研究，这种蛋白质涉及抑制人单核细胞中IL-1的加工和释放。版权所有 © 2002 John Wiley & Sons, Ltd.

  DOI：

  10.1002/jlcr.602

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] CHEMICAL COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY<br/>[FR] COMPOSÉS CHIMIQUES COMME INHIBITEURS DE L'ACTIVITÉ INTERLEUKINE-1
  申请人：JECURE THERAPEUTICS INC

  公开号：WO2018136890A1

  公开（公告）日：2018-07-26

  The present disclosure relates to novel sulfonylurea and sulfonyl thiourea compounds and related compounds and their use in treating a disease or condition responsive to modulation of cytokines such as IL-1β and IL-18, modulation of NLRP3 or inhibition of the activation of NLRP3 or related components of the inflammatory process.

  本公开涉及新型磺酰脲和磺酰硫脲化合物以及相关化合物，以及它们在治疗对细胞因子如IL-1β和IL-18的调节敏感的疾病或状况中的应用，调节NLRP3或抑制NLRP3或相关炎症过程组分的激活。
• Sulfonyl urea derivatives and their use in the control of interleukin-1 activity
  申请人：Pfizer Inc

  公开号：US06433009B1

  公开（公告）日：2002-08-13

  A compound of the formula wherein R1 and R2 are as defined above, useful in the treatment and condition selected from the group consisting of meningitis and salpingitis, septic shock, disseminated intravascular coagulation, and/or adult respiratory distress syndrome, acute or chronic inflammation, arthritis, cholangitis, colitis, encephalitis, endocarditis, glomerulonephritis, hepatitis, myocarditis, pancreatitis, pericarditis, reperfusion injury, vasculitis, acute and delayed hypersensitivity, graft rejection, and graft-versus-host disease, auto-immune diseases including Type 1 diabetes mellitus and multiple sclerosis, periodonate diseases, interstitial pulmonary fibrosis, cirrhosis, systemic sclerosis, keloid formation, tumors which produce IL-1 as an autocrine growth factor, cachexia, Alzheimers disease, percussion injury, depression, atherosclerosis, osteoporosis in a mammal, including a human.

  一种化合物的公式，其中R1和R2的定义如上所述，可用于治疗和改善选择的病症包括脑膜炎和输卵管炎、脓毒症、弥漫性血管内凝血、成人呼吸窘迫综合症、急性或慢性炎症、关节炎、胆管炎、结肠炎、脑炎、心内膜炎、肾小球肾炎、肝炎、心肌炎、胰腺炎、心包炎、再灌注损伤、血管炎、急性和迟发性过敏、移植排斥和移植物抗宿主病、自身免疫疾病，包括1型糖尿病和多发性硬化症、牙周病、间质性肺纤维化、肝硬化、全身性硬化、瘢痕形成、产生IL-1作为自分泌生长因子的肿瘤、消瘦症、阿尔茨海默病、振动伤害、抑郁症、动脉粥样硬化、哺乳动物，包括人类的骨质疏松症。
• Sulfonyl urea derivatives and their use in the control of interleukin-1
  申请人：Pfizer Inc

  公开号：US06166064A1

  公开（公告）日：2000-12-26

  A compound of formula (I) ##STR1## wherein R.sup.1 and R.sup.2 are as defined in the description, R.sup.2 being an aromatic group, useful in the treatment and condition selected from the group consisting of the group meningitis and salpingitis, septic shock, disseminated intravascular coagulation, and/or adult respiratory distress syndrome, acute or chronic inflammation, arthritis, cholangitis, colitis, encephalitis, endocarditis, glomerulonephritis, hepatitis, myocarditis, pancreatitis, pericarditis, reperfusion injury, vasculitis, acute and delayed hypersensitivity, graft rejection, and graft-versus-host disease, auto-immune diseases including Type 1 diabetes mellitus and multiple sclerosis, periodonate diseases, interstitial pulmonary fibrosis, cirrhosis, systemic sclerosis, keloid formation tumors which produce IL-1 as an autocrine growth factor, cachexia, Alzeimer's disease, percussion injury, depression, atherosclerosis, osteoporosis in a mammal, including human.

  化合物式(I)的化合物，其中R.sup.1和R.sup.2如描述中所定义，R.sup.2是芳香族基团，可用于治疗和改善所选的疾病和情况，包括脑膜炎和输卵管炎、败血症性休克、弥漫性血管内凝血和/或成人呼吸窘迫综合症、急性或慢性炎症、关节炎、胆管炎、结肠炎、脑炎、心内膜炎、肾小球肾炎、肝炎、心肌炎、胰腺炎、心包炎、再灌注损伤、血管炎、急性和延迟型超敏反应、移植排斥反应和移植物抗宿主病、自身免疫性疾病包括1型糖尿病和多发性硬化症、牙周病、间质性肺纤维化、肝硬化、系统性硬化、瘢痕增生、产生IL-1的肿瘤作为自分泌生长因子、消瘦症、阿尔茨海默病、敲击伤、抑郁症、动脉粥样硬化、哺乳动物中的骨质疏松症，包括人类。
• 4-Substituted furan-2-sulfonamide and its use in the preparation of sulfonyl urea derivatives
  申请人：PFIZER INC.

  公开号：EP1270565A1

  公开（公告）日：2003-01-02

  The invention relates to a compound, 4-(1-hydroxy-1-methyl-ethyl)furan-2-sulfonamide, and its use as an intermediate in the preparation of a compound of the formula wherein R1 and R2 are as defined in the description, useful in the treatment and condition selected from the group consisting of meningitis and salpingitis, septic shock, disseminated intravascular coagulation, and/or adult respiratory distress syndrome, acute or chronic inflammation, arthritis, cholangitis, colitis, encephalitis, endocarditis, glomerulonephritis, hepatitis, myocarditis, pancreatitis, pericarditis, reperfusion injury, vasculitis, acute and delayed hypersensitivity, graft rejection, and graft-versus-host disease, auto-immune diseases including Type 1 diabetes mellitus and multiple sclerosis, periodonate diseases, interstitial pulmonary fibrosis, cirrhosis, systemic sclerosis, keloid formation, tumors which produce IL-1 as an autocrine growth factor, cachexia, Alzheimers disease, percussion injury, depression, atherosclerosis (including cardiomyopathy, myocarditis and heart failure) and osteoporosis in a mammal, including a human.

  本发明涉及一种化合物，4-(1-羟基-1-甲基-乙基)呋喃-2-磺酰胺，及其在制备 式化合物中作为中间体的用途，其中 R1 和 R2 如描述中所定义。 其中 R1 和 R2 如描述中所定义，可用于治疗选自以下组别的疾病：脑膜炎和输卵管炎、脓毒性休克、弥散性血管内凝血和/或成人呼吸窘迫综合征、急性或慢性炎症、关节炎、胆管炎、结肠炎、脑炎、心内膜炎、肾小球肾炎、肝炎、心肌炎、胰腺炎、心包炎、再灌注损伤、血管炎、急性和迟发性超敏反应、移植物排斥和移植物抗宿主疾病、自身免疫性疾病（包括 1 型糖尿病和多发性硬化症）、牙周病、间质性肺纤维化、肝硬化、系统性硬化症、瘢痕疙瘩的形成、产生 IL-1 作为自分泌生长因子的肿瘤、恶病质、老年痴呆症、叩击伤、抑郁症、动脉粥样硬化（包括心肌病、心肌炎和心力衰竭）以及哺乳动物（包括人类）骨质疏松症。