5-chloro-2-phenylbenzonitrile | 37863-79-9

• 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-phenylbenzonitrile
• CAS: 37863-79-9
• 化学式: C₁₃H₈ClN
• 分子量: 213.666
• InChiKey: CLJZUMXTHGAZOX-UHFFFAOYSA-N

物化性质

• 熔点：
  87-89 °C
• 沸点：
  356.4±30.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  5-chloro-2-phenylbenzonitrile 在 氯化亚砜 、 三乙胺 作用下， 以 二氯甲烷 、 氯仿 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 40.0h， 生成 4’-chloro-2’-cyano-N-((1r,4r)-4-hydroxy-4-methylcyclohexyl)biphenyl-4-sulfonamide
  参考文献：
  名称：

  [EN] N-(4-HYDROXY-4-METHYL-CYCLOHEXYL)-4-PHENYL-BENZENESULFONAMIDES AND N-(4-HYDROXY-4-METHYL-CYCLOHEXYL)-4-(2-PYRIDYL)BENZENESULFONAMIDES AND THEIR THERAPEUTIC USE
  [FR] N-(4-HYDROXY-4-MÉTHYLCYCLOHEXYL)-4-PHÉNYLBENZÈNESULFONAMIDES ET N-(4-HYDROXY-4-MÉTHYLCYCLOHEXYL)-4-(2-PYRIDYL)BENZÈNESULFONAMIDES ET LEUR UTILISATION THÉRAPEUTIQUE

  摘要：

  本发明涉及治疗化合物领域。更具体地，本发明涉及某些取代的N-(4-羟基-4- 甲基环己基)-4-苯基-苯磺酰胺和N-(4-羟基-4-甲基环己基)-4-(2-吡啶基)苯磺酰胺化合物（以下统称为HMC化合物），该化合物可用于治疗包括炎症和/或关节破坏和/或骨质流失等疾病的治疗，由过度和/或不适当和/或持续激活免疫系统引起的疾病；炎症性和自身免疫性疾病，例如类风湿性关节炎；牛皮癣；银屑病性关节炎；慢性阻塞性肺病（COPD）；哮喘；动脉粥样硬化；炎症性肠病；强直性脊柱炎；多发性硬化症；系统性红斑狼疮；干燥综合症；与骨质流失有关的疾病，例如类风湿性关节炎中与过度破坏骨细胞活性有关的骨质流失，骨质疏松症，癌症相关骨病或Paget病；癌症，如血液恶性肿瘤，如多发性骨髓瘤，白血病或淋巴瘤，或实体肿瘤癌，如膀胱癌，乳腺癌（女性和/或男性），结肠癌，肾细胞癌，肾癌，肺癌，胰腺癌，胃癌，前列腺癌，脑癌，皮肤癌，甲状腺癌，基底细胞颌骨癌或黑色素瘤；与纤维化有关的疾病，如系统性硬化症或硬皮病；或罕见的血管炎，如Behçet病。本发明还涉及包含这种化合物的药物组合物，以及这种化合物和组合物的用途，例如在治疗中的应用。

  公开号：

  WO2014207445A1
• 作为产物：
  描述：

  2-氨基-5-氯苯腈 、 苯 生成 5-chloro-2-phenylbenzonitrile
  参考文献：
  名称：

  CH537895

  摘要：

  公开号：

文献信息

• N-(4-HYDROXY-4-METHYL-CYCLOHEXYL)-4-PHENYL-BENZENESULFONAMIDES AND N-(4- HYDROXY-4-METHYL-CYCLOHEXYL)-4-(2-PYRIDYL)BENZENESULFONAMIDES AND THEIR THERAPEUTIC USE
  申请人：PIMCO 2664 LIMITED

  公开号：US20160145206A1

  公开（公告）日：2016-05-26

  The present invention pertains generally to the field of therapeutic compounds. More specifically the present invention pertains to certain substituted N-(4-hydroxy-4-methyl-cyclohexyl)-4-phenyl-benzenesulfonamide and N-(4-hydroxy-4-methyl-cyclohexyl)-4-(2-pyridyl)benzenesulfonamide compounds (collectively referred to herein as HMC compounds) that are useful, for example, in the treatment of disorders (e.g., diseases) including, inflammation and/or joint destruction and/or bone loss; disorders mediated by excessive and/or inappropriate and/or prolonged activation of the immune system; inflammatory and autoimmune disorders, for example, rheumatoid arthritis; psoriasis; psoriatic arthritis; chronic obstructive pulmonary disease (COPD); asthma; atherosclerosis; inflammatory bowel disease; ankylosing spondylitis; multiple sclerosis; systemic lupus erythematosus; Sjogren's syndrome; a disorder associated with bone loss, such as bone loss associated with excessive osteoclast activity in rheumatoid arthritis, osteoporosis, cancer-associated bone disease, or Paget's disease; cancer, such as a haematological malignancy, such as multiple myeloma, leukemia, or lymphoma, or a solid tumour cancer, such as bladder cancer, breast cancer (female and/or male), colon cancer, renal cell carcinoma, kidney cancer, lung cancer, pancreatic cancer, gastric cancer, prostate cancer, brain cancer, skin cancer, thyroid cancer, basal cell ameloblastoma, or melanoma; a disorder associated with fibrosis, such as systemic sclerosis or scleroderma; or a rare vasculitide, such as Behçet's disease. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, for example, in therapy.

  本发明涉及治疗化合物领域。更具体地，本发明涉及某些取代的N-(4-羟基-4-甲基-环己基)-4-苯基-苯磺酰胺和N-(4-羟基-4-甲基-环己基)-4-(2-吡啶基)苯磺酰胺化合物（以下统称为HMC化合物），例如在治疗疾病中有用，包括炎症和/或关节破坏和/或骨质流失的疾病；由免疫系统过度和/或不适当和/或持续激活介导的疾病；炎症和自身免疫性疾病，例如类风湿性关节炎；银屑病；银屑病性关节炎；慢性阻塞性肺疾病（COPD）；哮喘；动脉粥样硬化；炎症性肠病；强直性脊柱炎；多发性硬化症；系统性红斑狼疮；Sjogren综合症；与骨质流失有关的疾病，例如与类风湿性关节炎，骨质疏松症，癌症相关骨病或Paget病中过度破骨细胞活性有关的骨质流失；癌症，例如血液恶性肿瘤，例如多发性骨髓瘤，白血病或淋巴瘤，或实体肿瘤癌，例如膀胱癌，乳腺癌（女性和/或男性），结肠癌，肾细胞癌，肾癌，肺癌，胰腺癌，胃癌，前列腺癌，脑癌，皮肤癌，甲状腺癌，基底细胞上皮瘤或黑色素瘤；与纤维化有关的疾病，例如系统性硬化或硬皮病；或罕见的血管炎，例如Behçet病。本发明还涉及包含这种化合物的制药组合物以及这种化合物和组合物的使用，例如在治疗中。
• Metal-Free Generation of γ-Cyanoalkyl Radicals by N-Heterocyclic Carbene Catalysis: Assembly of 6-Cyanoalkyl Phenanthridines
  作者：Qianrong Li、Cong-Ying Zhou、Chengming Wang

  DOI：10.1021/acs.orglett.2c03808

  日期：2022.12.23

  number of γ-cyanoalkyl radicals were generated by sustainable N-heterocyclic carbene catalysis in tin-, transition-meal-, and light-free conditions, followed by insertion into biaryl isonitriles, thus leading to the rapid assembly of a variety of diversely functionalized 6-cyanoalkyl phenanthridines. A preliminary mechanism study revealed that a single-electron transfer radical process was possibly involved

  在无锡​​、过渡餐和无光条件下，通过可持续的 N-杂环卡宾催化产生了许多 γ-氰基烷基自由基，然后插入到联芳基异腈中，从而导致各种不同功能化的快速组装6-氰基烷基菲啶。初步的机理研究表明，可能涉及单电子转移自由基过程。
• N-(4-hydroxy-4-methyl-cyclohexyl)-4-phenyl-benzenesulfonamides and N-(4-hydroxy-4-methyl-cyclohexyl)-4-(2-pyridyl)benzenesulfonamides and their therapeutic use
  申请人：PIMCO 2664 LIMITED

  公开号：US10029979B2

  公开（公告）日：2018-07-24

  The present invention pertains generally to the field of therapeutic compounds. More specifically the present invention pertains to certain substituted N-(4-hydroxy-4-methyl-cyclohexyl)-4-phenyl-benzenesulfonamide and N-(4-hydroxy-4-methyl-cyclohexyl)-4-(2-pyridyl)benzenesulfonamide compounds (collectively referred to herein as HMC compounds) that are useful, for example, in the treatment of disorders (e.g., diseases) including, inflammation and/or joint destruction and/or bone loss; disorders mediated by excessive and/or inappropriate and/or prolonged activation of the immune system; inflammatory and autoimmune disorders, for example, rheumatoid arthritis; psoriasis; psoriatic arthritis; chronic obstructive pulmonary disease (COPD); asthma; atherosclerosis; inflammatory bowel disease; ankylosing spondylitis; multiple sclerosis; systemic lupus erythematosus; Sjogren's syndrome; a disorder associated with bone loss, such as bone loss associated with excessive osteoclast activity in rheumatoid arthritis, osteoporosis, cancer-associated bone disease, or Paget's disease; cancer, such as a haematological malignancy, such as multiple myeloma, leukemia, or lymphoma, or a solid tumor cancer, such as bladder cancer, breast cancer (female and/or male), colon cancer, renal cell carcinoma, kidney cancer, lung cancer, pancreatic cancer, gastric cancer, prostate cancer, brain cancer, skin cancer, thyroid cancer, basal cell ameloblastoma, or melanoma; a disorder associated with fibrosis, such as systemic sclerosis or scleroderma; or a rare vasculitide, such as Behçet's disease. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, for example, in therapy.

  本发明一般涉及治疗化合物领域。更具体地说，本发明涉及某些取代的 N-(4-羟基-4-甲基-环己基)-4-苯基苯磺酰胺和 N-(4-羟基-4-甲基-环己基)-4-(2-吡啶基)苯磺酰胺化合物（在此统称为 HMC 化合物），这些化合物可用于治疗各种疾病（例如疾病），包括炎症和/或关节破坏和/或骨质流失；免疫系统过度和/或不适当和/或长期激活引起的疾病；炎症和自身免疫性疾病，例如类风湿性关节炎；银屑病；银屑病关节炎；慢性阻塞性肺疾病（COPD）；哮喘；动脉粥样硬化；炎症性肠病；强直性脊柱炎；多发性硬化症；系统性红斑狼疮；斯约格伦综合征；与骨质流失有关的疾病，如类风湿性关节炎、骨质疏松症、癌症相关骨病或帕吉特氏病中与破骨细胞过度活动有关的骨质流失；癌症，如血液恶性肿瘤，如多发性骨髓瘤、白血病或淋巴瘤，或实体瘤癌症，如膀胱癌、乳腺癌（女性和/或男性）、结肠癌、肾细胞癌、肾癌、肺癌、胰腺癌、胃癌、前列腺癌、脑癌、皮肤癌、甲状腺癌、基底细胞母细胞瘤或黑色素瘤；与纤维化相关的疾病，如系统性硬化症或硬皮病；或罕见的血管性疾病，如白塞氏病。本发明还涉及包含此类化合物的药物组合物，以及此类化合物和组合物在治疗等方面的用途。
• Structure–activity relationships in a novel series of 7-substituted-aryl quinolines and 5-substituted-aryl benzothiazoles at the metabotropic glutamate receptor subtype 5
  作者：Peng Zhang、Mu-Fa Zou、Alice L. Rodriguez、P. Jeffrey Conn、Amy Hauck Newman

  DOI：10.1016/j.bmc.2010.03.053

  日期：2010.5

  The metabotropic glutamate receptor subtype 5 (mGluR5) has been implicated in numerous neuropsychiatric disorders including addiction. We have discovered that the rigid diaryl alkyne template, derived from the potent and selective noncompetitive mGluR5 antagonist 2-methyl-6-(phenylethynyl) pyridine (MPEP), can serve to guide the design of novel quinoline analogues and pharmacophore optimization has resulted in potent mGluR5 noncompetitive antagonists (EC(50) range 60-100 nM) in the quinoline series. Published by Elsevier Ltd.
• N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS
  申请人：ABBOTT LABORATORIES

  公开号：EP1685119A1

  公开（公告）日：2006-08-02