4-(3-Isopropyl-phenyl)-1,2,3,6-tetrahydro-pyridine | 851000-99-2

• 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: 4-(3-Isopropyl-phenyl)-1,2,3,6-tetrahydro-pyridine
• 英文别名: 4-(3-propan-2-ylphenyl)-1,2,3,6-tetrahydropyridine
• CAS: 851000-99-2
• 化学式: C₁₄H₁₉N
• 分子量: 201.312
• InChiKey: WXTDZTYRGGFFMI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (6S,7S)-7-(tert-butoxycarbonyl)-5-azaspiro[2.5]octane-6-carboxylic acid 、 4-(3-Isopropyl-phenyl)-1,2,3,6-tetrahydro-pyridine 在 (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 tert-butyl (6S,7S)-6-(4-(3-isopropylphenyl)-1,2,3,6-tetrahydropyridine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylate
  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

• Hydroxamic acid derivatives as metalloprotease inhibitors
  申请人：Burns M. David

  公开号：US20050250789A1

  公开（公告）日：2005-11-10

  The present invention provides compounds of Formula I or II: salt form or prodrug thereof, wherein variables are defined herein, that are modulators of metalloproteases such as matrix metalloproteases (MMPs) and ADAMs. The compounds or compositions described herein can be used to treat diseases associated with metalloprotease activity including, for example, arthritis, cancer, cardiovascular disorders, skin disorders, inflammation or allergic conditions.

  本发明提供了Formula I或II的化合物： 盐形式或其前药，其中变量在此处定义，这些化合物是金属蛋白酶调节剂，如基质金属蛋白酶（MMPs）和ADAMs。本文描述的化合物或组合物可用于治疗与金属蛋白酶活性相关的疾病，包括例如关节炎、癌症、心血管疾病、皮肤疾病、炎症或过敏症状。
• [EN] TARGETED PROTEIN DEGRADATION<br/>[FR] DÉGRADATION CIBLÉE DE PROTÉINES
  申请人：C4 THERAPEUTICS INC

  公开号：WO2020132561A1

  公开（公告）日：2020-06-25

  This invention provides pharmaceutical protein degraders and E3 ubiquitin ligase binders for therapeutic applications as described further herein.

  这项发明提供了用于治疗应用的药用蛋白质降解剂和E3泛素连接酶结合物。
• [EN] SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES<br/>[FR] INHIBITEURS DE METALLOPROTEASES MATRICES A BASE D'HYDROXAMATES CYCLIQUES SUBSTITUES
  申请人：INCYTE CORP

  公开号：WO2005037826A1

  公开（公告）日：2005-04-28

  The present invention provides compounds of the formula I: its enantiomers, diastereomers, racemic mixtures thereof, prodrugs, crystalline forms, non-crystalline forms, amorphous forms thereof, solvates thereof, metabolites thereof, and pharmaceutically acceptable salts, wherein the ring A substituent groups are fully defined in the following disclosure. The compounds of formula I are inhibitors of metalloproteases such as matrix metalloproteases and sheddases, and are useful in treating diseases such as rheumatoid arthritis, psoriasis, neoplastic diseases, allergies and all those diseases wherein inhibition of MMPs is desirable.

  本发明提供了公式I的化合物：其对映异构体，二对映异构体，混合物，前药，结晶形式，非晶形式，无定形形式，溶剂化物，代谢物和药学上可接受的盐，其中环A取代基在以下披露中被完全定义。公式I的化合物是金属蛋白酶抑制剂，如基质金属蛋白酶和剪切酶的抑制剂，并且在治疗风湿性关节炎，牛皮癣，肿瘤性疾病，过敏和所有需要MMPs抑制的疾病中有用。
• Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases
  申请人：Li Yun-Long

  公开号：US20050113344A1

  公开（公告）日：2005-05-26

  The present invention provides compounds of the formula I: its enantiomers, diastereomers, racemic mixtures thereof, prodrugs, crystalline forms, non-crystalline forms, amorphous forms thereof, solvates thereof, metabolites thereof, and pharmaceutically acceptable salts, wherein the ring A substituent groups are fully defined in the following disclosure. The compounds of formula I are inhibitors of metalloproteases such as matrix metalloproteases and sheddases, and are useful in treating diseases such as rheumatoid arthritis, psoriasis, neoplastic diseases, allergies and all those diseases wherein inhibition of MMPs is desirable.

  本发明提供了I式化合物：其对映体、非对映异构体、混合物、前药、晶体形态、非晶体形态、无定形形态、溶剂化物、代谢物和药学上可接受的盐，其中环A的取代基在以下披露中被充分定义。I式化合物是金属蛋白酶抑制剂，例如基质金属蛋白酶和脱落素酶，并且在治疗类风湿性关节炎、牛皮癣、肿瘤性疾病、过敏和所有需要抑制MMPs的疾病中有用。
• Substituted cyclic hydroxamates as lnhibitors of matrix metalloproteinases
  申请人：Li Yun Long

  公开号：US20080167288A1

  公开（公告）日：2008-07-10

  The present invention provides compounds of the formula: its enantiomers, diastereomers, racemic mixtures thereof, prodrugs, crystalline forms, non-crystalline forms, amorphous forms thereof, solvates thereof, metabolites thereof, and pharmaceutically acceptable salts, wherein the ring A substituent groups are fully defined in the following disclosure. The compounds of formula are inhibitors of metalloproteases such as matrix metalloproteases and sheddases, and are useful in treating diseases such as rheumatoid arthritis, psoriasis, neoplastic diseases, allergies and all those diseases wherein inhibition of MMPs is desirable.

  本发明提供了公式的化合物：其对映异构体、非对映异构体、混合物、前药、晶体形式、非晶体形式、无定形形式、溶剂化物、代谢物和药学上可接受的盐，其中环A的取代基在下面的披露中被完全定义。公式化合物是金属蛋白酶抑制剂，如基质金属蛋白酶和脱落酶，可用于治疗风湿性关节炎、银屑病、肿瘤性疾病、过敏和所有需要抑制MMP的疾病。