1-[3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl]-3-{4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl} urea | 294848-51-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-[3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl]-3-{4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl} urea
• 英文别名: 1-[5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl]-3-[4-(6-morpholin-4-ylmethyl-pyridin-3-yl)naphthalen-1-yl]urea；1-[5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl]-3-[4-(6-(morpholin-4-yl-methyl)pyridine-3-yl)-naphthalen-1-yl]-urea；1-[5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl]-3-[4-(6-(morpholin-4-yl-methyl)pyridin-3-yl)-naphthalen-1-yl]urea；1-[5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl]-3-{4-[6-(morpholin-4-ylmethyl)pyridine-3-yl]naphthalen-1-yl}urea；Urea, N-[3-(1,1-dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N'-[4-[6-(4-morpholinylmethyl)-3-pyridinyl]-1-naphthalenyl]-；1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl]urea
• CAS: 294848-51-4
• 化学式: C₃₅H₃₈N₆O₂
• 分子量: 574.726
• InChiKey: KAZMQKPLIPWQNO-UHFFFAOYSA-N

物化性质

• 熔点：
  63.6 °C
• 沸点：
  650.7±55.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  43
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  84.3
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-[3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl]-3-{4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl} urea 、 苯磺酸 以 四氢呋喃 为溶剂， 生成 1-[5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl]-3-[4-(6-(morpholin-4-yl-methyl)pyridin-3-yl)-naphthalen-1-yl]urea besylate
  参考文献：
  名称：

  WO2007/109434

  摘要：

  公开号：
• 作为产物：
  描述：

  5-溴-2-吡啶甲醛 在 三丁基氯化锡 、 叔丁基锂 、 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 四氢呋喃 、 二甲基亚砜 为溶剂， 反应 27.0h， 生成 1-[3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl]-3-{4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl} urea
  参考文献：
  名称：

  New modifications to the area of pyrazole-naphthyl urea based p38 MAP kinase inhibitors that bind to the adenine/ATP site

  摘要：

  Discovery of the pyrazole-naphthyl urea class of p38 MAP kinase inhibitors typified by the clinical candidate BIRB 796 has encouraged further exploration of this particular scaffold. Modification to the part of the inhibitor that occupies the adenine/ ATP binding site has resulted in a new way to obtain potent inhibitors that possess favorable in vitro and in vivo properties. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.05.042

文献信息

• Anticoagulant and fibrinolytic therapy uning p38 MAP kinase inhibitors
  申请人：Boehringer Ingelheim Pharmaceuticals, Inc.

  公开号：US20040033222A1

  公开（公告）日：2004-02-19

  Disclosed are methods for a treating a disease or condition relating to blood coagulation and fibrinolysis using p38 MAP kinase inhibitors.

  揭示了利用p38 MAP激酶抑制剂治疗与血液凝血和纤溶有关的疾病或症状的方法。
• Polymorph and process for preparing same
  申请人：Boehringer Ingelheim Pharmaceuticals, Inc.

  公开号：US20030109703A1

  公开（公告）日：2003-06-12

  Disclosed are processes, polymorph and intermediate compounds for preparing aryl- and heteroaryl-substituted urea compounds of the formula(I) wherein Ar 1 , Ar 2 , L, Q and X are described herein. The product compounds are useful in pharmaceutic compositions for treating diseases or pathological conditions involving inflammation such as chronic inflammatory diseases. 1

  本文披露了用于制备式(I)的芳基和杂芳基取代脲化合物的过程、多形态和中间化合物，其中Ar1、Ar2、L、Q和X如本文所述。所得化合物在制备药物组合物中有用，用于治疗涉及炎症的疾病或病理条件，如慢性炎症性疾病。
• Method of treating mucus hypersecretion
  申请人：Boehringer Ingelheim Pharma GmbH & Co. KG

  公开号：US20030220336A1

  公开（公告）日：2003-11-27

  The invention relates to the use of p38 kinase inhibitors for the preparation of a pharmaceutical composition suitable for inhalation for the treatment of mucus hypersecretion. Furthermore the invention is directed to pharmaceutical compositions suitable for inhalation comprising p38 kinase inhibitors and to methods for the preparation thereof.

  本发明涉及使用p38激酶抑制剂制备适用于治疗黏液过度分泌的吸入药物组合物。此外，本发明还涉及适用于吸入的含有p38激酶抑制剂的药物组合物以及其制备方法。
• Methods of treating cytokine mediated diseases
  申请人：Boehringer Ingelheim Pharmaceuticals, Inc.

  公开号：US20030060455A1

  公开（公告）日：2003-03-27

  Disclosed are methods of treating acute and chronic inflammation in the lung caused by inhalation of smoke, endometriosis, Behcet's disease, uveitis, ankylosing spondylitis, pancreatitis, cancer, Lyme disease, sepsis, chronic obstructive pulmonary disease, traumatic arthritis, congestive heart failure and restenosis following percutaneous transluminal coronary angioplasty, known to be cytokine mediated, using aromatic heterocyclic compounds described in WO 00/55139.

  本发明涉及使用在WO 00/55139中描述的芳香族杂环化合物治疗由吸入烟雾、子宫内膜异位症、Behcet病、葡萄膜炎、强直性脊柱炎、胰腺炎、癌症、莱姆病、败血症、慢性阻塞性肺疾病、创伤性关节炎、充血性心力衰竭和经皮冠状动脉成形术后再狭窄等已知为细胞因子介导的急性和慢性肺部炎症治疗的方法。
• Process for synthesis of heteroaryl-substituted urea compounds useful as antiinflammatory agents
  申请人：Boehringer Ingelheim Pharmaceuticals, Inc.

  公开号：US20030181718A1

  公开（公告）日：2003-09-25

  Disclosed are novel processes and novel intermediate compounds for preparing aryl-and heteroaryl-substituted urea compounds of the formula(I) wherein Ar 1 , Ar 2 , L, Q and X are described herein. The product compounds are useful in pharmaceutic compositions for treating diseases or pathological conditions involving inflammation such as chronic inflammatory diseases. 1

  本发明涉及制备式(I)中的芳基和杂芳基取代的脲化合物的新工艺和新中间体化合物，其中Ar1，Ar2，L，Q和X如本文所述。所得的化合物可用于制备药物组合物，用于治疗涉及炎症的疾病或病理条件，如慢性炎症性疾病。