2-氯烟酰胺 | 473464-13-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 2-氯烟酰胺
• 英文名称: 2-chloronicotinamidine
• 英文别名: 2-chloropyridine-3-carboxamidine；2-chloro-nicotinamidine；2-Chloronicotinimidamide；2-chloropyridine-3-carboximidamide
• CAS: 473464-13-0
• 化学式: C₆H₆ClN₃
• mdl: MFCD08234558
• 分子量: 155.587
• InChiKey: VZMZEHUJMNONNA-UHFFFAOYSA-N

物化性质

• 沸点：
  283.7±50.0 °C(Predicted)
• 密度：
  1.44±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  62.8
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  2-氯烟酰胺 在 碳酸氢钠 、 三氯氧磷 作用下， 以 异丙醇 、 乙腈 为溶剂， 反应 49.0h， 生成 2-chloro-4-(2-chloropyridin-3-yl)-[1,3,5]triazine
  参考文献：
  名称：

  Evolution of a Highly Selective and Potent 2-(Pyridin-2-yl)-1,3,5-triazine Tie-2 Kinase Inhibitor

  摘要：

  Inhibition of angiogenesis is a promising and clinically validated approach for limiting tumor growth and survival. The receptor tyrosine kinase Tie-2 is expressed almost exclusively in the vascular endothelium and is required for developmental angiogenesis and vessel maturation. However, the significance of Tie-2 signaling in tumor angiogenesis is not well understood. In order to evaluate the therapeutic utility of inhibiting Tie-2 signaling, we developed a series of potent and orally bioavailable small molecule Tie-2 kinase inhibitors with selectivity over other kinases, especially those that are believed to be important for tumor angiogenesis. Our earlier work provided pyridinyl pyrimidine 6 as a potent, nonselective Tie-2 inhibitor that was designed on the basis of X-ray cocrystal structures of KDR inhibitors 34 (triazine) and 35 (nicotinamide). Lead optimization resulted in pyridinyl triazine 63, which exhibited > 30-fold selectivity over a panel of kinases, good oral exposure, and in vivo inhibition of Tie-2 phosphorylation.

  DOI：

  10.1021/jm061107l
• 作为产物：
  描述：

  2-氯-4-氰基吡啶 在 三甲基铝 、 氯化铵 作用下， 以 正己烷 、 甲苯 为溶剂， 反应 14.0h， 生成 2-氯烟酰胺
  参考文献：
  名称：

  EP1803710

  摘要：

  公开号：

文献信息

• Kinase inhibitors
  申请人：Amgen Inc.

  公开号：US20040116388A1

  公开（公告）日：2004-06-17

  The invention relates to inhibitors of enzymes that bind to ATP or GTP and/or catalyze phosphoryl transfer, compositions comprising the inhibitors, and methods of using the inhibitors and inhibitor compositions. The inhibitors and compositions comprising them are useful for treating disease or disease symptoms. The invention also provides for methods of making phosphoryl transferase inhibitor compounds, methods of inhibiting phosphoryl transferase activity, and methods for treating disease or disease symptoms.

  这项发明涉及与ATP或GTP结合并/或催化磷酸转移的酶的抑制剂，包括这些抑制剂的组合物，以及使用这些抑制剂和抑制剂组合物的方法。这些抑制剂和包含它们的组合物对治疗疾病或疾病症状是有用的。该发明还提供了制备磷酸转移酶抑制剂化合物的方法，抑制磷酸转移酶活性的方法，以及治疗疾病或疾病症状的方法。
• Substituted triazinyl amide derivatives and methods of use
  申请人：——

  公开号：US20030087908A1

  公开（公告）日：2003-05-08

  The invention encompasses compounds, analogs, prodrugs and pharmaceutically acceptable salts thereof, pharmaceutical compositions, uses and methods for prophylaxis and treatment of cancer and angiogenesis-related disease.

  本发明包括化合物、类似物、前药及其药物可接受的盐，药物组合物，以及用于预防与治疗癌症和与血管生成相关疾病的用途和方法。
• From arylureas to biarylamides to aminoquinazolines: Discovery of a novel, potent TRPV1 antagonist
  作者：Xiaozhang Zheng、Kevin J. Hodgetts、Harry Brielmann、Alan Hutchison、Frank Burkamp、A. Brian Jones、Peter Blurton、Robert Clarkson、Jayaraman Chandrasekhar、Rajagopal Bakthavatchalam、Stéphane De Lombaert、Marci Crandall、Daniel Cortright、Charles A. Blum

  DOI：10.1016/j.bmcl.2006.07.010

  日期：2006.10

  Bioisosteric replacement of piperazine with an aryl ring in lead VR1 antagonist 1 led to the biarylamide series. The development of B-ring SAR led to the conformationally constrained analog 70. The resulting aminoquinazoline 70 represents a novel VR1 antagonist with improved in vitro potency and oral bioavailability vs the analogous compounds from the lead series.

  铅VR1拮抗剂1中芳基环的哌嗪生物等位取代导致了联芳基酰胺系列的产生。B环SAR的发展导致构象受限的类似物70。所得氨基喹唑啉70代表一种新型VR1拮抗剂，与先导系列的类似化合物相比，具有更高的体外效价和口服生物利用度。
• Aurora kinase modulators and method of use
  申请人：Cee J. Victor

  公开号：US20070185111A1

  公开（公告）日：2007-08-09

  The present invention relates to chemical compounds having a general formula I wherein A 1 , A 2 , C 1 , C 2 , D, L 1 , L 2 , Z and R 1 - are defined herein, and synthetic intermediates, which are capable of modulating various protein kinase receptor enzymes and, thereby, influencing various disease states and conditions related to the activities of such kinases. For example, the compounds are capable of modulating Aurora kinase thereby influencing the process of cell cycle and cell proliferation to treat cancer and cancer-related diseases. The invention also includes pharmaceutical compositions, including the compounds, and methods of treating disease states related to the activity of Aurora kinase.

  本发明涉及具有一般式I的化合物，其中A1、A2、C1、C2、D、L1、L2、Z和R1-在此定义，并且具有调节各种蛋白激酶受体酶的能力，从而影响与这些激酶活动相关的各种疾病状态和病况。例如，这些化合物能够调节枢纽激酶，从而影响细胞周期和细胞增殖过程，用于治疗癌症和癌症相关疾病。该发明还包括含有这些化合物的药物组合物，以及治疗与枢纽激酶活性相关的疾病状态的方法。
• Protein kinase modulators and method of use
  申请人：Geuns-Meyer D. Stephanie

  公开号：US20060009453A1

  公开（公告）日：2006-01-12

  The present invention relates to chemical compounds having a general formula I wherein A, B, D, E, G, H 1-5 and R 1-4 are defined herein, and synthetic intermediates, which are capable of modulating various protein kinase receptor enzymes and, thereby, influencing various disease states and conditions related to the activities of these kinases. For example, the compounds are capable of modulating kinase enzymes thereby influencing the process of angiogenesis and treating angiogenesis-related diseases and other poliferative disorders, including cancer and inflammation. The invention also includes pharmaceutical compositions, including the compounds, and methods of treating disease states related to the activity of protein kinases.

  本发明涉及具有通式I的化合物，其中A、B、D、E、G、H1-5和R1-4在此定义，并且合成中间体，这些化合物能够调节各种蛋白激酶受体酶，从而影响与这些激酶活性相关的各种疾病状态和条件。例如，这些化合物能够调节激酶酶，从而影响血管生成的过程，并治疗与血管生成相关的疾病和其他增生性疾病，包括癌症和炎症。本发明还包括包括这些化合物的药物组合物和治疗与蛋白激酶活性相关的疾病状态的方法。