4-(2-(4-cyanophenylamino)thieno[2,3-d]pyrimidin-4-yloxy)-3,5-dimethylbenzonitrile | 1024603-72-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-(2-(4-cyanophenylamino)thieno[2,3-d]pyrimidin-4-yloxy)-3,5-dimethylbenzonitrile
• 英文别名: 4-[2-(4-cyanoanilino)thieno[2,3-d]pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile
• CAS: 1024603-72-2
• 化学式: C₂₂H₁₅N₅OS
• 分子量: 397.46
• InChiKey: RNDFBYMWAOTJKB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  123
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-((2-chlorothieno[2,3-d]pyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrile 、 对氨基苯腈 在 三氟乙酸 作用下， 以 三氟乙醇 为溶剂， 反应 48.0h， 以14%的产率得到4-(2-(4-cyanophenylamino)thieno[2,3-d]pyrimidin-4-yloxy)-3,5-dimethylbenzonitrile
  参考文献：
  名称：

  WO2008/58285

  摘要：

  公开号：

文献信息

• 4-CYANOPHENYLAMINO-SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INHIBITORS
  申请人：Girardet Jean-Luc

  公开号：US20090281124A1

  公开（公告）日：2009-11-12

  This application concerns certain 4-cyanophenylamino-substituted bicyclic heterocycles of formula I where the dashed line represents a double bond that may be located either between A and C(V) or between C(V) and D, where A is S or C(Z); D is S or C(W); provided that one and only one of A and D is S; where T is NH, O, or S; and where other substituents are defined herein. These compounds are non-nucleoside reverse transcriptase inhibitors and have potential as anti-HIV treatment.

  该申请涉及公式I的某些4-氰基苯基氨基取代的双环杂环化合物，其中虚线代表可能位于A和C（V）之间或位于C（V）和D之间的双键，其中A为S或C（Z）；D为S或C（W）；前提是A和D中仅有一个为S；其中T为NH，O或S；其他取代基在此定义。这些化合物是非核苷类逆转录酶抑制剂，并具有作为抗HIV治疗的潜力。
• Substituted thieno[3,2-d]pyrimidines as HIV inhibitors
  申请人：Ardea Biosciences, Inc.

  公开号：US08211898B2

  公开（公告）日：2012-07-03

  This application concerns certain 4-cyanophenylamino-substituted bicyclic heterocycles of formula I where the dashed line represents a double bond that may be located either between A and C(V) or between C(V) and D, where A is S or C(Z); D is S or C(W); provided that one and only one of A and D is S; where T is NH, O, or S; and where other substituents are defined herein. These compounds are non-nucleoside reverse transcriptase inhibitors and have potential as anti-HIV treatment.

  这个应用涉及到某些具有公式I的4-氰基苯胺取代的双环杂环化合物，其中虚线代表可能位于A和C（V）之间或C（V）和D之间的双键，其中A为S或C（Z）；D为S或C（W）；只有A和D中的一个是S；其中T为NH，O或S；其他取代基在此定义。这些化合物是非核苷类逆转录酶抑制剂，具有作为抗HIV治疗的潜力。
• Substituted thieno [2,3-d] pyrimidines as HIV inhibitors
  申请人：Ardea Biosciences, Inc.

  公开号：US08324223B2

  公开（公告）日：2012-12-04

  This application concerns certain 4-cyanophenylamino-substituted bicyclic heterocycles of formula I where the dashed line represents a double bond that may be located either between A and C(V) or between C(V) and D, where A is S or C(Z); D is S or C(W); provided that one and only one of A and D is S; where T is NH, O, or S; and where other substituents are defined herein. These compounds are non-nucleoside reverse transcriptase inhibitors and have potential as anti-HIV treatment.

  该申请涉及式I的某些4-氰基苯胺取代的双环杂环化合物，其中虚线表示可能位于A和C（V）之间或C（V）和D之间的双键，其中A为S或C（Z）；D为S或C（W）；前提是A和D中仅有一个为S；其中T为NH，O或S；并且其他取代基在此定义。这些化合物是非核苷类逆转录酶抑制剂，具有作为抗HIV治疗的潜力。
• Substituted thieno[3,2-D]pyrimidines as HIV inhibitors
  申请人：Ardea Biosciences, Inc.

  公开号：US07595324B2

  公开（公告）日：2009-09-29

  This application concerns certain 4-cyanophenylamino-substituted bicyclic heterocycles of formula I where the dashed line represents a double bond that may be located either between A and C(V) or between C(V) and D, where A is S or C(Z); D is S or C(W); provided that one and only one of A and D is S; where T is NH, O, or S; and where other substituents are defined herein. These compounds are non-nucleoside reverse transcriptase inhibitors and have potential as anti-HIV treatment.

  该应用涉及公式I的某些4-氰基苯胺取代的双环杂环化合物，其中虚线代表可能位于A和C（V）之间或C（V）和D之间的双键，其中A为S或C（Z）; D为S或C（W）; 前提是A和D中仅有一个为S;其中T为NH，O或S;并且其他取代基在此处定义。这些化合物是非核苷类逆转录酶抑制剂，具有作为抗HIV治疗的潜力。
• Substituted Thienol[2,3-d] pyrimidines as HIV Inhibitors
  申请人：GIRARDET Jean-Luc

  公开号：US20120225894A1

  公开（公告）日：2012-09-06

  This application concerns certain 4-cyanophenylamino-substituted bicyclic heterocycles of formula I where the dashed line represents a double bond that may be located either between A and C(V) or between C(V) and D, where A is S or C(Z); D is S or C(W); provided that one and only one of A and D is S; where T is NH, O, or S; and where other substituents are defined herein. These compounds are non-nucleoside reverse transcriptase inhibitors and have potential as anti-HIV treatment.

  这个应用涉及到某些公式I的4-氰基苯氨基取代的双环杂环化合物，其中虚线表示可能位于A和C(V)之间或C(V)和D之间的双键，其中A为S或C(Z)；D为S或C(W)；只有A和D中的一个是S；T为NH、O或S；其他取代基在此定义。这些化合物是非核苷类逆转录酶抑制剂，具有作为抗HIV治疗的潜力。