N-[3-(5-bromo-2-chloro-pyrimidin-4-ylamino)-propyl]-3-nitro-benzenesulfonamide | 666719-50-2

• 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: N-[3-(5-bromo-2-chloro-pyrimidin-4-ylamino)-propyl]-3-nitro-benzenesulfonamide
• 英文别名: N-[3-(5-bromo-2-chloropyrimidin-4-ylamino)propyl]-3-nitrobenzenesulfonamide；N-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]propyl]-3-nitrobenzenesulfonamide
• CAS: 666719-50-2
• 化学式: C₁₃H₁₃BrClN₅O₄S
• 分子量: 450.7
• InChiKey: WOOMCWDOJICDSQ-UHFFFAOYSA-N

物化性质

• 沸点：
  675.6±65.0 °C(Predicted)
• 密度：
  1.711±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  138
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  N-[3-(5-bromo-2-chloro-pyrimidin-4-ylamino)-propyl]-3-nitro-benzenesulfonamide 在 盐酸 、 titanium(III) chloride 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 20.0h， 以49%的产率得到3-amino-N-[3-(5-bromo-2-chloro-pyrimidin-4-ylamino)-propyl]-benzenesulfonamide
  参考文献：
  名称：

  Macrocyclic pyrimidines, their production and use as pharmaceutical agents

  摘要：

  通用公式I的大环嘧啶衍生物 其中R1至R5，X，Y，A，B，m和n的含义如描述中所含，作为细胞周期依赖性激酶抑制剂，它们的生产过程以及它们作为治疗各种疾病的药物的用途被描述。

  公开号：

  US20040209895A1
• 作为产物：
  描述：

  N-(5-Bromo-2-chloro-pyrimidin-4-yl)-propane-1,3-diamine Hydrochloride 、 3-硝基苯磺酰氯 在 三乙胺 作用下， 以 水 、 丙酮 为溶剂， 反应 2.5h， 以87%的产率得到N-[3-(5-bromo-2-chloro-pyrimidin-4-ylamino)-propyl]-3-nitro-benzenesulfonamide
  参考文献：
  名称：

  Macrocyclic pyrimidines, their production and use as pharmaceutical agents

  摘要：

  通用公式I的大环嘧啶衍生物 其中R1至R5，X，Y，A，B，m和n的含义如描述中所含，作为细胞周期依赖性激酶抑制剂，它们的生产过程以及它们作为治疗各种疾病的药物的用途被描述。

  公开号：

  US20040209895A1

文献信息

• Sulfonamido-macrocycles and the salts thereof, a pharmaceutical composition comprising these compounds, the method of preparing and the use thereof
  申请人：Kettschau Georg

  公开号：US20060167030A1

  公开（公告）日：2006-07-27

  The invention relates to sulfonamido-macrocycles according to the general Formula I and the salts thereof, to pharmaceutical compositions comprising the sulfonamido-macrocycles and to a method of preparing the sulfonamido-macrocycles as well as the use thereof for manufacturing a pharmaceutical composition for the treatment of diseases of dysregulated vascular growth or of diseases which are accompanied with dysregulated vascular growth, wherein the compounds effectively interfere with angiopoietin and therefore influence Tie2 signalling. wherein R 1 , R 2 and R 3 have the meaning as given in the specification and the claims.

  该发明涉及根据通用式I和其盐的磺胺基大环化合物，包括该磺胺基大环化合物的药物组合物，以及制备该磺胺基大环化合物的方法以及用于制造用于治疗血管生长失调疾病或伴随血管生长失调的疾病的药物组合物的用途，其中该化合物有效干预血管生成素，从而影响Tie2信号传导，其中R1、R2和R3的含义如规范和索赔中所述。
• Sulfonamido-macrocycles as Tie2 inhibitors and the salts thereof, a pharmaceutical composition comprising these compounds, the method of preparing and the use thereof
  申请人：Kettschau Georg

  公开号：US20060194823A1

  公开（公告）日：2006-08-31

  The invention relates to sulfonamido-macrocycles according to the general Formula I and the salts thereof, to pharmaceutical compositions comprising the sulfonamido-macrocycles and to a method of preparing the sulfonamido-macrocycles as well as the use thereof for manufacturing a pharmaceutical composition for the treatment of diseases of dysregulated vascular growth or of diseases which are accompanied with dysregulated vascular growth, wherein the compounds effectively interfere with angiopoietin and therefore influence Tie2 signalling. wherein R 1 , R 2 , R 4 , A, X, Y, Z and m have the meaning as given in the specification and the claims.

  该发明涉及一般式I所示的磺胺基-大环化合物及其盐，包括含有磺胺基-大环化合物的药物组合物，以及制备磺胺基-大环化合物的方法，以及用于制造治疗血管生长失调疾病或伴随血管生长失调的疾病的药物组合物的用途，其中这些化合物有效地干扰血管生成素，从而影响Tie2信号传导，其中R1、R2、R4、A、X、Y、Z和m的含义如规范和权利要求中所示。
• SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME
  申请人：Hartung Ingo

  公开号：US20080039482A1

  公开（公告）日：2008-02-14

  The invention relates to sulfonamido-macrocycles according to the general formula (I): in which R 1 , R 2 , R 4 , R 5 , R 6 , A, B, C, L, X, Y, Z, n, and m are as defined in the claims, and salts, N-oxides, or solvates thereof, to pharmaceutical compositions comprising said sulfonamido-macrocycles, to methods of preparing said sulfonamido-macrocycles as well as the use thereof for manufacturing a pharmaceutical composition for the treatment of diseases of dysregulated vascular growth or of diseases which are accompanied with dysregulated vascular growth, wherein the compounds effectively interfere with Tie2 signalling.

  本发明涉及通式（I）所示的磺酰胺宏环化合物： 其中，R1、R2、R4、R5、R6、A、B、C、L、X、Y、Z、n和m如权利要求书所定义的那样，并且它们的盐、N-氧化物或溶剂化物，以及包含所述磺酰胺宏环化合物的制药组合物，制备所述磺酰胺宏环化合物的方法以及将其用于制造用于治疗失调血管生长病或伴随失调血管生长的疾病的制药组合物，其中所述化合物有效干预Tie2信号传导。
• SUBSTITUTED SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME
  申请人：Hartung Ingo

  公开号：US20090005373A1

  公开（公告）日：2009-01-01

  The invention relates to substituted sulfonamido-macrocycles according to the general formula (I): in which R 1 , R 2 , R 4 , R 5 , A, B, C, L, X, Y, Z, n, and m are as defined in the claims, and salts, N-oxides, or solvates thereof, to pharmaceutical compositions comprising said substituted sulfonamido-macrocycles, to methods of preparing said substituted sulfonamido-macrocycles as well as the use thereof for manufacturing a pharmaceutical composition for the treatment of diseases of dysregulated vascular growth or of diseases which are accompanied with dysregulated vascular growth, wherein the compounds effectively interfere with Tie2 signalling.

  本发明涉及一般式（I）的取代磺酰胺基大环化合物：其中R1、R2、R4、R5、A、B、C、L、X、Y、Z、n和m如权利要求中所定义，并且其盐、N-氧化物或溶剂合物，以及包含所述取代磺酰胺基大环化合物的制药组合物，制备所述取代磺酰胺基大环化合物的方法以及将其用于制造治疗失调血管生长病或伴随失调血管生长的疾病的制药组合物的用途，其中该化合物有效干扰Tie2信号。
• Sulphonamido-macrocycles as tie2 inhibitors
  申请人：Bayer Schering Pharma Aktiengesellschaft

  公开号：EP1870416A1

  公开（公告）日：2007-12-26

  The invention relates to sulfonamido-macrocycles according to the general formula (I): in which R1, R2, R4, R5, R6, A, B, C, L, X, Y, Z, n, and m are as defined in the claims, and salts thereof, to pharmaceutical compositions comprising said sulfonamido-macrocycles, to methods of preparing said sulfonamido-macrocycles as well as the use thereof for manufacturing a pharmaceutical composition for the treatment of diseases of dysregulated vascular growth or of diseases which are accompanied with dysregulated vascular growth, wherein the compounds effectively interfere with Tie2 signalling.

  本发明涉及通式（I）的磺酰胺基大环： 其中 R1、R2、R4、R5、R6、A、B、C、L、X、Y、Z、n 和 m 如权利要求中定义，以及它们的盐、包含所述磺酰胺基-大环的药物组合物、制备所述磺酰胺基-大环的方法及其用于制造治疗血管生长失调疾病或伴随血管生长失调的疾病的药物组合物的用途，其中所述化合物可有效干扰 Tie2 信号。