1⁵-iodo-4-thia-2,5,9-triaza-1(2,4)-pyrimidina-3(1,3)-benzenacyclononaphane-4,4-dioxide | 894772-82-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 1⁵-iodo-4-thia-2,5,9-triaza-1(2,4)-pyrimidina-3(1,3)-benzenacyclononaphane-4,4-dioxide
• 英文别名: 6-iodo-13-thia-2,4,8,12,19-pentaazatricyclo[12.3.1.1^3,7]nonadeca-1(18),3(19),4,6,14,16-hexaene 13,13-dioxide；1⁵-iodo-4-thia-2,5,9-triaza-1(2,4)-pyrimidina-3(1,3)-benzenacyclononaphan-4,4-dioxide；6-Iodo-13-thia-2,4,8,12,19-pentaaza-tricyclo[12.3.1.13,7]nonadeca-1(18),3(19),4,6,14,16-hexaene 13,13-dioxide；6-iodo-13λ6-thia-2,4,8,12,19-pentazatricyclo[12.3.1.13,7]nonadeca-1(18),3,5,7(19),14,16-hexaene 13,13-dioxide
• CAS: 894772-82-8
• 化学式: C₁₃H₁₄IN₅O₂S
• 分子量: 431.257
• InChiKey: SSSDUJAGUTYMGN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  104
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-噻吩硼酸 、 1⁵-iodo-4-thia-2,5,9-triaza-1(2,4)-pyrimidina-3(1,3)-benzenacyclononaphane-4,4-dioxide 在 四(三苯基膦)钯 sodium carbonate 、 lithium chloride 作用下， 以 ethnol 、 水 、 甲苯 为溶剂， 反应 24.0h， 以26%的产率得到1⁵-(thien-2-yl)-4-thia-2,5,9-triaza-1(2,4)-pyrimidina-3(1,3)-benzenacyclonona-phane 4,4-dioxide
  参考文献：
  名称：

  Sulfonamido-macrocycles and the salts thereof, a pharmaceutical composition comprising these compounds, the method of preparing and the use thereof

  摘要：

  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。

  公开号：

  US20060167030A1
• 作为产物：
  描述：

  3-amino-N-[3-(5-iodo-2-chloro-pyrimidin-4-ylamino)-propyl]-benzenesulfonamide 在 盐酸 作用下， 以 1,4-二氧六环 、 水 、 乙腈 、 仲丁醇 为溶剂， 反应 6.0h， 以79%的产率得到1⁵-iodo-4-thia-2,5,9-triaza-1(2,4)-pyrimidina-3(1,3)-benzenacyclononaphane-4,4-dioxide
  参考文献：
  名称：

  Sulfonamido-macrocycles as Tie2 inhibitors and the salts thereof, a pharmaceutical composition comprising these compounds, the method of preparing and the use thereof

  摘要：

  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。

  公开号：

  US20060194823A1

文献信息

• Sulfonamido-macrocycles as Tie2 inhibitors
  申请人：Schering Aktiengesellschaft

  公开号：EP1674469A1

  公开（公告）日：2006-06-28

  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 R1, R2, R4, A, X, Y, Z and m have the meaning as given in the specification and the claims.

  该发明涉及根据一般式I和其盐的磺胺基大环化合物，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述。
• 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。
• Substituted sulphonamido-macrocycles as Tie2 inhibitors and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same
  申请人：Bayer Schering Pharma Aktiengesellschaft

  公开号：EP1873159A1

  公开（公告）日：2008-01-02

  The invention relates to substituted sulfonamido-macrocycles according to the general formula (I) : in which R1, R2, R4, R5, A, B, C, L, X, Y, Z, n, and m are as defined in the claims, and salts 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.

  本发明涉及通式(I)的取代磺酰胺基大环： 其中 R1、R2、R4、R5、A、B、C、L、X、Y、Z、n 和 m 如权利要求中定义，及其盐，涉及包含所述取代的磺酰胺基-大环的药物组合物，涉及制备所述取代的磺酰胺基-大环的方法，以及使用其制造药物组合物，用于治疗血管生长失调疾病或伴随血管生长失调的疾病，其中所述化合物可有效干扰 Tie2 信号。