BW 755C | 78119-07-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: BW 755C
• 英文别名: 2-(3-trifluoromethyl-phenyl)-2H-pyrazol-3-ylamine；5-Amino-1-(3-trifluoromethylphenyl) pyrazole；1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-5-amine；2-(3-Trifluoromethylphenyl)-2H-pyrazol-3-ylamine；2-[3-(trifluoromethyl)phenyl]pyrazol-3-amine
• CAS: 78119-07-0
• 化学式: C₁₀H₈F₃N₃
• mdl: MFCD11641438
• 分子量: 227.189
• InChiKey: BWFGNKXQAXLSSM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  43.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  BW 755C 在 三氯氧磷 作用下， 以 乙醇 为溶剂， 反应 12.0h， 生成
  参考文献：
  名称：

  Deciphering the robustness of pyrazolo-pyridine carboxylate core structure-based compounds for inhibiting α-synuclein in transgenic C. elegans model of Synucleinopathy

  摘要：

  Parkinson's disease (PD), a calamitous neurodegenerative disorder with no cure till date, is closely allied with the misfolding and aggregation of alpha-Synuclein (alpha-Syn). Inhibition of alpha-Syn aggregation is one of the optimistic approaches for the treatment for PD. Here, we carried out hypothesis-driven studies towards synthesising a series of pyrazolo-pyridine carboxylate containing compounds (7a-7m) targeted at reducing deleterious alpha-Syn aggregation. The target compounds were synthesized through multi-step organic synthesis reactions. From docking studies, compounds 7b, 7g and 7i displayed better interaction with the key residues of alpha-Syn with values: -6.8, -8.9 and -7.2 Kcal/mol, respectively. In vivo transgenic C. elegans model of Synucleinopathy was used to evaluate the ability of the designed and synthesized compounds to inhibit alpha-Syn aggregation. These lead compounds 7b, 7g and 7i displayed 1.7, 2.4 and 1.5-fold inhibition of alpha-Syn with respect to the control. Further, the strategy of employing pyrazolo-pyridine-based compounds worked with success and these scaffolds could be further modified and validated for betterment of endpoints associated with PD.

  DOI：

  10.1016/j.bmc.2020.115640
• 作为产物：
  描述：

  3-三氟甲基苯肼 在 盐酸 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 反应 29.0h， 生成 BW 755C
  参考文献：
  名称：

  PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS

  摘要：

  该发明提供了Formula Ia的JAK激酶抑制剂，其对映体、二对映体或其药学上可接受的盐，其中R1、R2、R7和Z在此处定义，包括Formula Ia化合物和药学上可接受的载体、辅料或载体的药物组合物，以及治疗或减轻对JAK激酶活性抑制有响应的疾病或病况的方法。

  公开号：

  US20120022043A1

文献信息

• [EN] PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS<br/>[FR] COMPOSÉS INHIBITEURS DE JAK À LA PYRAZOLOPYRIMIDINE ET PROCÉDÉS
  申请人：GENENTECH INC

  公开号：WO2010051549A1

  公开（公告）日：2010-05-06

  The invention provides JAK kinase inhibitors of Formula Ia, enantiomers, diasteriomers or pharmaceutically acceptable salts thereof, wherein R1, R2, R7 and Z are defined herein, a pharmaceutical composition that includes a compound of Formula Ia and a pharmaceutically acceptable carrier, adjuvant or vehicle, and methods of treating or lessening the severity of a disease or condition responsive to the inhibition of a JAK kinase activity in a patient. Ia

  这项发明提供了Formula Ia的JAK激酶抑制剂，其对映体、二对映体或其药学上可接受的盐，其中R1、R2、R7和Z在此处被定义，包括Formula Ia化合物和药学上可接受的载体、辅料或载体的药物组合物，以及治疗或减轻对JAK激酶活性抑制有响应的疾病或病况的方法。
• PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS
  申请人：Blaney Jeffrey

  公开号：US20120022043A1

  公开（公告）日：2012-01-26

  The invention provides JAK kinase inhibitors of Formula Ia, enantiomers, diasteriomers or pharmaceutically acceptable salts thereof, wherein R 1 , R 2 , R 7 and Z are defined herein, a pharmaceutical composition that includes a compound of Formula Ia and a pharmaceutically acceptable carrier, adjuvant or vehicle, and methods of treating or lessening the severity of a disease or condition responsive to the inhibition of a JAK kinase activity in a patient.

  该发明提供了Formula Ia的JAK激酶抑制剂，其对映体、二对映体或其药学上可接受的盐，其中R1、R2、R7和Z在此处定义，包括Formula Ia化合物和药学上可接受的载体、辅料或载体的药物组合物，以及治疗或减轻对JAK激酶活性抑制有响应的疾病或病况的方法。
• Pyrazolyl amino imidazolines as diuretic agents
  申请人：Abbott Laboratories

  公开号：US04226773A1

  公开（公告）日：1980-10-07

  Described is a method of increasing urinary excretion by administering effective amounts to a subject in need thereof of compounds of the formula ##STR1## wherein R.sub.1 and R.sub.2 are hydrogen, loweralkyl, lowercycloalkyl, aralkyl, aryl, pyridyl, isoquinolyl or phthalazinyl, or aryl substituted by one or more hydrogen, halo, loweralkyl, lowercycloalkyl, haloloweralkyl, aminosulfonyl, nitro, hydroxy, alkoxy, carboxy, alkoxycarbonyl, cycloalkoxy carbonyl, aminocarbonyl, diloweralkylaminocarbonyl or ##STR2## wherein n is 4 or 5. R.sub.3 is hydrogen, halogen, loweralkyl or aryl, and R.sub.4 is hydrogen, acyl, amino or loweralkyl, and the pharmaceutically acceptable acid addition salts thereof.

  描述了一种通过向需要的受试者施用具有以下结构的化合物的有效量来增加尿液排泄的方法：其中R.sub.1和R.sub.2分别是氢、较低烷基、较低环烷基、芳基烷基、芳基、吡啶基、异喹啉基或邻苯二甲酰基，或者芳基被一个或多个氢、卤素、较低烷基、较低环烷基、卤代较低烷基、氨基磺酰基、硝基、羟基、烷氧基、羧基、烷氧羰基、环烷氧羰基、氨基羰基、两个较低烷基氨基羰基或其中n为4或5的结构。R.sub.3是氢、卤素、较低烷基或芳基，R.sub.4是氢、酰基、氨基或较低烷基，以及其药学上可接受的酸盐。
• Pyrazolyl amino imidazolines as antihypertensive agents
  申请人：Abbott Laboratories

  公开号：US04234594A1

  公开（公告）日：1980-11-18

  Described is a method of treating hypertensive by administering to mammalian patients compounds of the formula ##STR1## wherein R.sub.1 and R.sub.2 are hydrogen, loweralkyl, lowercycloalkyl, aralkyl, aryl, pyridyl, isoquinolyl, phthalazinyl, or aryl substituted by one or more hydrogen, halo, loweralkyl, lowercycloalkyl, haloloweralkyl, haloloweralkyl, aminosulfonyl, nitro, hydroxy, alkoxy, carboxy, alkoxycarbonyl, cycloalkoxy carbonyl, aminocarbonyl, diloweralkylaminocarbonyl or ##STR2## wherein n is 4 or 5. R.sub.3 is hydrogen, halogen, loweralkyl or aryl, and R.sub.4 is hydrogen, acyl, amino or loweralkyl, and the pharmaceutically acceptable acid addition salts thereof.

  描述了一种治疗高血压的方法，通过向哺乳动物患者施用以下化合物的方式：其中R.sub.1和R.sub.2为氢、较低烷基、较低环烷基、芳基烷基、芳基、吡啶基、异喹啉基、菲唑啉基、或被一个或多个氢、卤素、较低烷基、较低环烷基、卤代较低烷基、氨基磺酰基、硝基、羟基、烷氧基、羧基、烷氧羰基、环烷氧羰基、氨基羰基、二较低烷基氨基羰基或其中n为4或5的芳基取代的芳基；R.sub.3为氢、卤素、较低烷基或芳基；R.sub.4为氢、酰基、氨基或较低烷基，以及其药用可接受的酸盐。
• Inhibitors of IAP
  申请人：Cohen Frederick

  公开号：US20070299052A1

  公开（公告）日：2007-12-27

  The invention provides novel inhibitors of IAP that are useful as therapeutic agents for treating malignancies where the compounds have the general formula I: wherein X, Y, A, R 1 , R 2 , R 3 , R 4 , R 4 ′, R 5 , R 5 ′, R 6 and R 6 ′ are as described herein.

  该发明提供了新型的IAP抑制剂，可用作治疗恶性肿瘤的治疗剂，其中化合物具有一般式I，其中X、Y、A、R1、R2、R3、R4、R4'、R5、R5'、R6和R6'如本文所述。