4-nitro-1-pyridin-4-ylmethyl-1H-indazole | 1044717-94-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: 4-nitro-1-pyridin-4-ylmethyl-1H-indazole
• 英文别名: 4-nitro-1-(pyridin-4-ylmethyl)indazole
• CAS: 1044717-94-3
• 化学式: C₁₃H₁₀N₄O₂
• 分子量: 254.248
• InChiKey: XFXPJZKPLFXVKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  76.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-nitro-1-pyridin-4-ylmethyl-1H-indazole 在 钯 氢气 、 crude solution 、 甲醇 、 二氯甲烷 作用下， 以 乙醇乙酸乙酯 为溶剂， 反应 96.0h， 以to afford 1-pyridine-4-ylmethyl-1H-indazol-4-ylamine as an orange oil的产率得到1-pyridine-4-ylmethyl-1H-indazol-4-ylamine
  参考文献：
  名称：

  Certain substituted ureas as modulators of kinase activity

  摘要：

  本文提供了从化合物1的化合物中选择的某些化学实体及其药学上可接受的盐、溶剂化物、晶体形式、螯合物、非共价复合物、前药和其混合物。本文还提供了含有至少一种化学实体和一种或多种药学上可接受的载体、佐剂和赋形剂的制药组合物。本文还揭示了治疗对血管生成激酶调节敏感的某些疾病和障碍的患者的方法，包括向这些患者施用至少一种化学实体的有效剂量以减少疾病或障碍的症状或迹象。这些疾病包括癌症，包括乳腺肿瘤、子宫内膜癌、结肠癌和颈部鳞状细胞癌。治疗方法包括将至少一种化学实体作为单一活性剂或与一种或多种其他治疗剂联合使用。本文还提供了一种用于确定样品中是否存在血管生成激酶的方法，包括将样品与至少一种化学实体接触，以允许检测血管生成激酶的活性水平，并从中确定样品中是否存在血管生成激酶。

  公开号：

  US20060199846A1
• 作为产物：
  描述：

  4-(溴甲基)吡啶氢溴酸盐 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 16.5h， 生成 4-nitro-1-pyridin-4-ylmethyl-1H-indazole
  参考文献：
  名称：

  WO2006/76593

  摘要：

  公开号：

文献信息

• Certain substituted ureas as modulators of kinase activity
  申请人：Mitchell A. Scott

  公开号：US20060199846A1

  公开（公告）日：2006-09-07

  Certain chemical entities chosen from compounds of Formula 1 and pharmaceutically acceptable salts, solvates, crystal forms, chelates, non-covalent complexes, prodrugs, and mixtures thereof, are provided herein. Pharmaceutical compositions comprising at least one chemical entity and one or more pharmaceutically acceptable vehicle chosen from carriers, adjuvants, and excipients, are also provided herein. Methods of treating patients suffering from certain diseases and disorders responsive to angiogenic kinase modulation, which comprise administering to such patients an amount of at least one chemical entity effective to reduce signs or symptoms of the disease or disorder are disclosed. These diseases include cancer, including breast neoplasia, endometrial cancer, colon cancer, and neck squamous cell carcinoma. Methods of treatment include administering at least one chemical entity as a single active agent or administering such at least one chemical entity in combination with one or more other therapeutic agents. A method for determining the presence or absence of an angiogenic kinase in a sample comprising contacting the sample with at least one chemical entity under conditions that permit detection of activity of the angiogenic kinase, detecting a level of the activity of the angiogenic kinase, and therefrom determining the presence or absence of the angiogenic kinase in the sample.

  本文提供了从式1化合物中选择的某些化学实体及其药学可接受的盐、溶剂化物、晶体形式、螯合物、非共价复合物、前药和混合物。本文还提供了包含至少一种化学实体和一种或多种药学可接受的载体、佐剂和赋形剂的制药组合物。本文还揭示了用于治疗对血管生成激酶调节有反应的某些疾病和障碍的患者的方法，包括向这些患者施用足够量的至少一种化学实体，以减少疾病或障碍的症状或体征。这些疾病包括癌症，包括乳腺肿瘤、子宫内膜癌、结肠癌和颈部鳞状细胞癌。治疗方法包括将至少一种化学实体作为单一活性剂施用或与一种或多种其他治疗剂联合使用。本文还揭示了一种用于确定样品中是否存在血管生成激酶的方法，包括在允许检测血管生成激酶活性的条件下，将样品与至少一种化学实体接触，检测血管生成激酶活性水平，并从中确定样品中是否存在血管生成激酶。
• 1,3-diaryl substituted ureas as modulators of kinase activity.
  申请人：CGI Pharmaceuticals, Inc.

  公开号：EP2397478A1

  公开（公告）日：2011-12-21

  Certain chemical entities chosen from compounds of Formula 1 and pharmaceutically acceptable salts, solvates, crystal forms, chelates, non-covalent complexes, prodrugs, and mixtures thereof, are provided herein. Pharmaceutical compositions comprising at least one chemical entity and one or more pharmaceutically acceptable vehicle chosen from carriers, adjuvants, and excipients, are also provided herein. Use in treating patients suffering from certain diseases and disorders responsive to angiogenic kinase modulation, which comprise administering to such patients an amount of at least one chemical entity effective to reduce signs or symptoms of the disease or disorder are disclosed. These diseases include cancer, including breast neoplasia, endometrial cancer, colon cancer, and neck squamous cell carcinoma. A method for determining the presence or absence of an angiogenic kinase in a sample comprising contacting the sample with at least one chemical entity under conditions that permit detection of activity of the angiogenic kinase, or detecting a level of the activity of the angiogenic kinase.

  选自式 1 化合物的某些化学实体 及其药学上可接受的盐、溶液、晶体、螯合物、非共价复合物、原药和混合物。本文还提供了由至少一种化学实体和一种或多种药学上可接受的载体（选自载体、佐剂和赋形剂）组成的药物组合物。公开了用于治疗对血管生成激酶调节有反应的某些疾病和失调患者的方法，其中包括向此类患者施用有效减少疾病或失调的体征或症状的至少一种化学实体。这些疾病包括癌症，包括乳腺癌、子宫内膜癌、结肠癌和颈部鳞状细胞癌。一种确定样品中是否存在血管生成激酶的方法，包括在允许检测血管生成激酶活性的条件下将样品与至少一种化学物质接触，或检测血管生成激酶的活性水平。
• 1,3-DIARYL SUBSTITUTED UREAS AS MODULATORS OF KINASE ACTIVITY
  申请人：CGI Pharmaceuticals, Inc.

  公开号：EP1858879A1

  公开（公告）日：2007-11-28
• [EN] 1,3-DIARYL SUBSTITUTED UREAS AS MODULATORS OF KINASE ACTIVITY<br/>[FR] UREES A SUBSTITUTION 1,3-DIARYLE, MODULATEURS DE L'ACTIVITE DE KINASES
  申请人：CGI PHARMACEUTICALS INC

  公开号：WO2006076593A1

  公开（公告）日：2006-07-20

  [EN] Certain chemical entities chosen from compounds of Formula 1 and pharmaceutically acceptable salts, solvates, crystal forms, chelates, non-covalent complexes, prodrugs, and mixtures thereof, are provided herein. Pharmaceutical compositions comprising at least one chemical entity and one or more pharmaceutically acceptable vehicle chosen from carriers, adjuvants, and excipients, are also provided herein. Use in treating patients suffering from certain diseases and disorders responsive to angiogenic kinase modulation, which comprise administering to such patients an amount of at least one chemical entity effective to reduce signs or symptoms of the disease or disorder are disclosed. These diseases include cancer, including breast neoplasia, endometrial cancer, colon cancer, and neck sguamous cell carcinoma. A method for determining the presence or absence of an angiogenic kinase in a sample comprising contacting the sample with at least one chemical entity under conditions that permit detection of activity of the angiogenic kinase, detecting a level of the activity of the angiogenic kinase, and therefrom
  [FR] L'invention porte: sur certaines entités chimiques de formule (I) et leurs sels, solvates, formes cristallines, chélates, complexes non covalents, prodrogues, pharmacocompatibles, et leurs mélanges; sur des préparations pharmaceutiques comprenant au moins l'une de ces entités et un ou des véhicules choisis parmi des vecteurs, adjuvants et excipients; sur leur utilisation pour traiter des patients souffrant de maladies ou troubles réagissant à la modulation de la kinase angiogène tels que des cancers, dont ceux du sein, de l'endomètre, du colon, et le carcinome squameux du col, consistant à leur administrer une dose d'au moins une de ces entités pour en réduire les signes ou les symptômes; et sur une méthode permettant de déterminer la présence ou l'absence d'une kinase angiogène dans un échantillon, consistant à mettre l'échantillon en contact avec l'une au moins desdites entités dans des conditions permettant de détecter l'activité de ladite kinase et son niveau.
• WO2006/76593
  申请人：——

  公开号：——

  公开（公告）日：——