tetrahydro-2H-pyran-4-yl (6S,7S)-7-((hydroxyamino)carbonyl)-6-((4-phenylpiperazin-1-yl)carbonyl)-5-azaspiro(2,5)octane-5-carboxylate | 791828-53-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: tetrahydro-2H-pyran-4-yl (6S,7S)-7-((hydroxyamino)carbonyl)-6-((4-phenylpiperazin-1-yl)carbonyl)-5-azaspiro(2,5)octane-5-carboxylate
• 英文别名: (6S,7S)-7-hydroxycarbamoyl-6-(4-phenyl-piperazine-1-carbonyl)-5-aza-spiro[2.5]octane-5-carboxylic acid tetrahydro-pyran-4-yl ester；oxan-4-yl (6S,7S)-7-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate
• CAS: 791828-53-0
• 化学式: C₂₅H₃₄N₄O₆
• 分子量: 486.568
• InChiKey: ZMPZOWIAKRPTEQ-SFTDATJTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  tert-butyl (6S,7S)-6-((4-phenylpiperazin-1-yl)carbonyl)-5-azaspiro(2,5)octane-7-carboxylate 在 5% palladium on barium sulphate 、 氢气 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 32.58h， 生成 tetrahydro-2H-pyran-4-yl (6S,7S)-7-((hydroxyamino)carbonyl)-6-((4-phenylpiperazin-1-yl)carbonyl)-5-azaspiro(2,5)octane-5-carboxylate
  参考文献：
  名称：

  AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES

  摘要：

  公开号：

  EP1622569B1

文献信息

• Aza spiro alkane derivatives as inhibitors of metalloproteases
  申请人：——

  公开号：US20040259896A1

  公开（公告）日：2004-12-23

  The present invention provides a compound of Formula I or Formula II: 1 enantiomer, diastereomer, prodrug, solvate, metabolite, or pharmaceutically acceptable salt thereof, wherein constituent variables are provided herein. The compounds of Formula I and II are modulators of metalloproteases and are useful in treating diseases associated with metalloprotease activity such as arthritis, cancer, cardiovascular disorders, skin disorders, inflammation and allergic conditions.

  本发明提供了公式I或公式II的化合物：1对映异构体，对映体，前药，溶剂化物，代谢物或其药学上可接受的盐，其中组分变量在此处提供。公式I和II的化合物是金属蛋白酶调节剂，可用于治疗与金属蛋白酶活性相关的疾病，如关节炎，癌症，心血管疾病，皮肤疾病，炎症和过敏症。
• AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES
  申请人：Yao Wenqing

  公开号：US20090124649A1

  公开（公告）日：2009-05-14

  The present invention provides a compound of Formula I or Formula II: enantiomer, diastereomer, prodrug, solvate, metabolite, or pharmaceutically acceptable salt thereof, wherein constituent variables are provided herein. The compounds of Formula I and II are modulators of metalloproteases and are useful in treating diseases associated with metalloprotease activity such as arthritis, cancer, cardiovascular disorders, skin disorders, inflammation and allergic conditions.

  本发明提供了I式或II式的化合物：其对映异构体、顺反异构体、前药、溶剂化物、代谢物或其药学上可接受的盐，其中所述的组分变量已在此处提供。I和II式的化合物是金属蛋白酶的调节剂，并且在治疗与金属蛋白酶活性相关的疾病，例如关节炎、癌症、心血管疾病、皮肤疾病、炎症和过敏症方面很有用。
• AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES
  申请人：Yao Wenqing

  公开号：US20110288068A1

  公开（公告）日：2011-11-24

  The present invention provides a compound of Formula I or Formula II: enantiomer, diastereomer, prodrug, solvate, metabolite, or pharmaceutically acceptable salt thereof, wherein constituent variables are provided herein. The compounds of Formula I and II are modulators of metalloproteases and are useful in treating diseases associated with metalloprotease activity such as arthritis, cancer, cardiovascular disorders, skin disorders, inflammation and allergic conditions.

  本发明提供了化合物I或化合物II的化合物：对映体、顺反异构体、前药、溶剂化物、代谢物或其药学上可接受的盐，其中组成变量在此处提供。化合物I和II是金属蛋白酶调节剂，可用于治疗与金属蛋白酶活性相关的疾病，如关节炎、癌症、心血管疾病、皮肤疾病、炎症和过敏症。
• AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases
  申请人：INCYTE CORPORATION

  公开号：US20140187530A1

  公开（公告）日：2014-07-03

  The present invention provides a compound of Formula I or Formula II: enantiomer, diastereomer, prodrug, solvate, metabolite, or pharmaceutically acceptable salt thereof, wherein constituent variables are provided herein. The compounds of Formula I and II are modulators of metalloproteases and are useful in treating diseases associated with metalloprotease activity such as arthritis, cancer, cardiovascular disorders, skin disorders, inflammation and allergic conditions.

  本发明提供公式I或公式II的化合物：其对映体，顺反异构体，前药，溶剂化物，代谢物或其药学上可接受的盐，其中组成变量在此提供。公式I和II的化合物是金属蛋白酶调节剂，并且在治疗与金属蛋白酶活性相关的疾病，例如关节炎，癌症，心血管疾病，皮肤疾病，炎症和过敏症方面是有用的。
• AZA spiro alkane derivatives as inhibitors of metalloproteases
  申请人：Yao Wenqing

  公开号：US08637497B2

  公开（公告）日：2014-01-28

  The present invention provides a compound of Formula I or Formula II: enantiomer, diastereomer, prodrug, solvate, metabolite, or pharmaceutically acceptable salt thereof, wherein constituent variables are provided herein. The compounds of Formula I and II are modulators of metalloproteases and are useful in treating diseases associated with metalloprotease activity such as arthritis, cancer, cardiovascular disorders, skin disorders, inflammation and allergic conditions.

  本发明提供了公式I或公式II的化合物：其对映体、非对映异构体、前药、溶剂化物、代谢物或其药学上可接受的盐，其中组分变量在此处提供。公式I和II的化合物是金属蛋白酶调节剂，可用于治疗与金属蛋白酶活性相关的疾病，如关节炎、癌症、心血管疾病、皮肤疾病、炎症和过敏症。