(6S,7S)-N-Hydroxy-6-[(3-phenylpyrrolidin-1-yl)carbonyl]-5-azaspiro[2.5]octane-7-carboxamide | 1010072-99-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (6S,7S)-N-Hydroxy-6-[(3-phenylpyrrolidin-1-yl)carbonyl]-5-azaspiro[2.5]octane-7-carboxamide
• 英文别名: (6S,7S)-N-hydroxy-6-(3-phenylpyrrolidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide
• CAS: 1010072-99-7
• 化学式: C₁₉H₂₅N₃O₃
• 分子量: 343.426
• InChiKey: XKPUKZQRNSFQLM-YVZMLIKISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  81.7
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  在 羟胺 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 (6S,7S)-N-Hydroxy-6-[(3-phenylpyrrolidin-1-yl)carbonyl]-5-azaspiro[2.5]octane-7-carboxamide
  参考文献：
  名称：

  Design and identification of selective HER-2 sheddase inhibitors via P1′ manipulation and unconventional P2′ perturbations to induce a molecular metamorphosis

  摘要：

  In an effort to obtain a MMP selective and potent inhibitor of HER-2 sheddase (ADAM-10), the P1' group of a novel class of (6S,7S)-7-[(hydroxyamino)carbonyl]-6-carboxamide-5-azaspiro[2.5]octane-5-carboxylates was attenuated and the structure-activity relationships (SAR) will be discussed. In addition, it was discovered that unconventional perturbation of the P2' moiety could confer MMP selectivity, which was hypothesized to be a manifestation of the P2' group effecting global conformational changes. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.108

文献信息

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

  公开号：US10226459B2

  公开（公告）日：2019-03-12

  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.

  本发明提供了一种式 I 或式 II 的化合物： 对映体、非对映体、原药、溶媒、代谢物或其药学上可接受的盐，其中组成变量在此提供。式 I 和 II 的化合物是金属蛋白酶的调节剂，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、炎症和过敏性疾病。
• AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES
  申请人：Incyte Corporation

  公开号：EP1622569B1

  公开（公告）日：2015-12-02
• COMPOSITIONS, METHODS AND KITS RELATING TO HER-2 CLEAVAGE
  申请人：Friedman Steven M.

  公开号：US20120263676A1

  公开（公告）日：2012-10-18

  The present invention relates to compositions, methods and kits based on the ADAM-mediated cleavage of Her-2. The present invention also relates to treatments for cancer, and in particular, breast cancer, by modulating the ADAM-mediated cleavage of Her-2. Further, the invention relates to compositions, methods and kits based on the surprising synergistic effect between inhibition of Her-2 cleavage by an ADAM and certain cytostatic (e.g., Herceptin) and cytotoxic (e.g., Taxol) compounds in, among other things, inhibiting tumor cell proliferation and inducing cell death. Additionally, the invention relates to novel variants of ADAM15, designated ADAM15 variant 1 and ADAM15 variant 2, now identified and isolated.
• AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases
  申请人：Incyte Corporation

  公开号：US20170035751A1

  公开（公告）日：2017-02-09

  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.
• US9801877B2
  申请人：——

  公开号：US9801877B2

  公开（公告）日：2017-10-31