4-[(4-Chloro-benzylidene)-amino]-5-trifluoromethyl-4H-[1,2,4]triazole-3-thiol

• 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: 4-[(4-Chloro-benzylidene)-amino]-5-trifluoromethyl-4H-[1,2,4]triazole-3-thiol
• 英文别名: 4-[(E)-(4-chlorophenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione
• 化学式: C₁₀H₆ClF₃N₄S
• 分子量: 306.7
• InChiKey: CDCHVVURHZRQBL-PJQLUOCWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  72.1
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• Compounds for modulating integrin CD11B/CD18
  申请人：The General Hospital Corporation

  公开号：US10408820B2

  公开（公告）日：2019-09-10

  The application describes an assay for the identification of small molecule modulators of integrin CD11b/CD18 and small molecules capable of modulating activity of this receptor. Such compounds may be used in certain embodiments for treating a disease or condition selected from inflammation, immune-related disorders, cancer, ischemia-reperfusion injury, stroke, neointimal thickening associated with vascular injury, bullous pemphigoid, neonatal obstructive nephropathy, and cardiovascular disease, or in other embodiments for the treatment of a disease or condition selected from immune deficiency, acquired immune deficiency syndrome (AIDS), myeloperoxidase deficiency, Wiskott-Aldrich syndrome, chronic granulomatous disease, hyper-IgM syndromes, leukocyte adhesion deficiency, Chediak-Higashi syndrome, and severe combined immunodeficiency.

  该申请描述了一种用于鉴定整合素 CD11b/CD18 小分子调节剂和能够调节该受体活性的小分子的检测方法。在某些实施方案中，此类化合物可用于治疗选自炎症、免疫相关疾病、癌症、缺血再灌注损伤、中风、与血管损伤相关的新内膜增厚、牛皮癣、新生儿阻塞性肾病和心血管疾病的疾病或病症、或在其他实施方案中，用于治疗选自免疫缺陷、获得性免疫缺陷综合征（艾滋病）、髓过氧化物酶缺乏、Wiskott-Aldrich 综合征、慢性肉芽肿病、高 IgM 综合征、白细胞粘附缺陷、Chediak-Higashi 综合征和严重联合免疫缺陷的疾病或病症。
• Compounds for Modulating Integrin CD11B/CD18
  申请人：The General Hospital Corporation

  公开号：US20140303026A1

  公开（公告）日：2014-10-09

  The application describes an assay for the identification of small molecule modulators of integrin CD11b/CD18 and small molecules capable of modulating activity of this receptor. Such compounds may be used in certain embodiments for treating a disease or condition selected from inflammation, immune-related disorders, cancer, ischemia-reperfusion injury, stroke, neointimal thickening associated with vascular injury, bullous pemphigoid, neonatal obstructive nephropathy, and cardiovascular disease, or in other embodiments for the treatment of a disease or condition selected from immune deficiency, acquired immune deficiency syndrome (AIDS), myeloperoxidase deficiency, Wiskott-Aldrich syndrome, chronic granulomatous disease, hyper-IgM syndromes, leukocyte adhesion deficiency, Chediak-Higashi syndrome, and severe combined immunodeficiency.
• US8846667B2
  申请人：——

  公开号：US8846667B2

  公开（公告）日：2014-09-30
• [EN] COMPOUNDS FOR MODULATING INTEGRIN CD11B/CD18<br/>[FR] COMPOSÉS POUR MODULER L'INTÉGRINE CD11B/CD18
  申请人：PARTNERS HEALTHCARE RES VENTUR

  公开号：WO2008082537A2

  公开（公告）日：2008-07-10

  [EN] The application describes an assay for the identification of small molecule modulators of integrin CDl lb/CD18 and small molecules capable of modulating activity of this receptor. Such compounds may be used in certain embodiments for treating a disease or condition selected from inflammation, immune-related disorders, cancer, ischemia-reperfusion injury, stroke, neointimal thickening associated with vascular injury, bullous pemphigoid, neonatal obstructive nephropathy, and cardiovascular disease, or in other embodiments for the treatment of a disease or condition selected from immune deficiency, acquired immune deficiency syndrome (AIDS), myeloperoxidase deficiency, Wiskott-Aldrich syndrome, chronic granulomatous disease, hyper-IgM syndromes, leukocyte adhesion deficiency, Chediak-Higashi syndrome, and severe combined immunodeficiency.
  [FR] L'invention décrit un essai pour l'identification de modulateurs petites molécules de l'intégrine CD11b/CD18 et de petites molécules capables de moduler l'activité de ce récepteur. De tels composés peuvent être utilisés dans certains modes de réalisation pour traiter une maladie ou un état choisi parmi une inflammation, des troubles immunitaires, un cancer, une lésion d'ischémie-reperfusion, un accident cérébro-vasculaire, un épaississement néointimal associé à une lésion vasculaire, une pemphigoïde bulleuse, une néphropathie obstructive néonatale et une maladie cardio-vasculaire, et dans d'autres modes de réalisation pour le traitement d'une maladie ou d'un état choisi parmi une déficience immunitaire, le syndrome de l'immunodéficience acquise (SIDA), une déficience de la myéloperoxidase, le syndrome de Wiskott-Aldrich, une granulomatose septique chronique, des syndromes hyper-IgM, une déficience de l'adhésion des leucocytes, le syndrome de Chediak-Higashi et une immunodéficience combinée sévère.