1-异丙基-[1,4]二氮杂环庚烷-5-酮 | 59039-85-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂卓
• 中文名称: 1-异丙基-[1,4]二氮杂环庚烷-5-酮
• 英文名称: 1-isopropyl-1,4-diazepan-5-one
• 英文别名: 1-Isopropyl-homopiperazinon-5；1-Isopropyl-[1,4]diazepan-5-one；1-propan-2-yl-1,4-diazepan-5-one
• CAS: 59039-85-9
• 化学式: C₈H₁₆N₂O
• 分子量: 156.228
• InChiKey: YNOFJHFSABFXNI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-异丙基-[1,4]二氮杂环庚烷-5-酮 、 氢化铝锂 以65%的产率得到
  参考文献：
  名称：

  GURYN R.; KOTELKO A.; MAJCHRZAK M., ACTA. POL. PHARM. , 1975, 32, NO 3, 293-301

  摘要：

  DOI：
• 作为产物：
  描述：

  N-Isopropyl-N-cyanmethyl-N-(β-methoxycarbonyl)-ethylamin 以58%的产率得到
  参考文献：
  名称：

  GURYN R.; KOTELKO A.; MAJCHRZAK M., ACTA. POL. PHARM. , 1975, 32, NO 3, 293-301

  摘要：

  DOI：

文献信息

• MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF
  申请人：Weinstein David S.

  公开号：US20090075995A1

  公开（公告）日：2009-03-19

  Novel non-steroidal compounds are provided which are useful in treating diseases associated with modulation of the glucocorticoid receptor, AP-1, and/or NF-κB activity, including inflammatory and immune diseases, having the structure of formula (I): an enantiomer, diastereomer, or tautomer thereof, or a prodrug ester thereof, or a pharmaceutically-acceptable salt thereof, in which: Z is heterocyclo or heteroaryl; A is a 5- to 8-membered carbocyclic ring or a 5- to 8-membered heterocyclic ring; B is a cycloalkyl, cycloalkenyl, aryl, heterocyclo, or heteroaryl ring, wherein each ring is fused to the A ring on adjacent atoms and optionally substituted by one to four groups which are the same or different and are independently selected from R 5 , R 6 , R 7 , and R 8 ; J 1 , J 2 , and J 3 are at each occurrence the same or different and are independently -A 1 QA 2 -; Q is a bond, O, S, S(O), or S(O) 2 ; A 1 and A 2 are the same or different and are at each occurrence independently selected from a bond, C 1-3 alkylene, substituted C 1-3 alkylene, C 2-4 alkenylene, and substituted C 2-4 alkenylene, provided that A 1 and A 2 are chosen so that ring A is a 5- to 8-membered carbocyclic or heterocyclic ring; R 1 to R 11 are as defined herein. Also provided are pharmaceutical compositions and methods of treating inflammatory- or immune-associated diseases and obesity and diabetes employing said compounds.

  提供了一系列新颖的非甾体化合物，这些化合物在治疗与糖皮质激素受体、AP-1和/或NF-κB活性调节相关的疾病中很有用，包括炎性和免疫疾病，具有以下结构式（I）： 其对应的光学异构体、对映异构体或互变异构体，或其前药酯，或其药用可接受盐，其中： Z是杂环或杂芳基； A是一个5至8成员的碳环或一个5至8成员的杂环； B是一个环烷基、环烯基、芳基、杂环或杂芳基环，其中每个环都与A环上的相邻原子融合，并且可以选择性地被一个到四个独立选自R5、R6、R7和R8的相同或不同的组取代； J1、J2和J3每次出现时相同或不同，独立地选自-A1QA2-；Q是键、O、S、S(O)或S(O)2；A1和A2相同或不同，每次出现时独立地选自键、C1-3烷基、取代的C1-3烷基、C2-4烯基和取代的C2-4烯基，前提是A1和A2的选择使得环A是一个5至8成员的碳环或杂环； R1至R11如本文所述定义。 还提供了使用这些化合物的药物组合物和治疗炎性疾病、免疫相关疾病、肥胖和糖尿病的方法。
• HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS
  申请人：Incyte Corporation

  公开号：US20170129899A1

  公开（公告）日：2017-05-11

  This application relates to compounds of Formula (I): or pharmaceutically acceptable salts or stereoisomers thereof, which are inhibitors of PI3K-γ which are useful for the treatment of disorders such as autoimmune diseases, cancer, cardiovascular diseases, and neurodegenerative diseases.

  该申请涉及式(I)的化合物，或其药用盐或立体异构体，这些化合物是PI3K-γ的抑制剂，对于治疗自身免疫性疾病、癌症、心血管疾病和神经退行性疾病等疾病有用。
• Mitotic Kinesin Inhibitors
  申请人：Breslin Michael J.

  公开号：US20080182843A1

  公开（公告）日：2008-07-31

  The present invention relates to tricyclic pyrazoles that are useful for treating cellular proliferative diseases, for treating disorders associated with KSP kinesin activity, and for inhibiting KSP kinesin. The invention also relates to compositions which comprise these compounds, and methods of using them to treat cancer in mammals.

  本发明涉及三环吡唑，用于治疗细胞增殖性疾病，治疗与KSP动力蛋白活性相关的疾病，并抑制KSP动力蛋白。本发明还涉及包含这些化合物的组合物，以及使用它们治疗哺乳动物癌症的方法。
• SUBSTITUTED BENZYL AMINE COMPOUNDS
  申请人：Allison Brett

  公开号：US20080045509A1

  公开（公告）日：2008-02-21

  Certain substituted benzyl amine compounds are histamine H 3 receptor and/or serotonin transporter modulators useful in the treatment of histamine H 3 receptor- and/or serotonin-mediated diseases.

  某些取代苄胺化合物是组胺H3受体和/或血清素转运蛋白调节剂，在组胺H3受体和/或血清素介导的疾病治疗中有用。
• Inhibitors of protein kinases
  申请人：Michelotti Luis Enrique

  公开号：US20070185098A1

  公开（公告）日：2007-08-09

  The present invention is directed to a compound having the formula wherein R 1 , R 2 , R 3 , R 4 , G, and Q are defined herein. The compounds of the present invention are useful as inhibitors of protein kinases. The present invention is also directed to compositions comprising a compound according to the above formula. The present invention is also directed to compounds that stabilize the open conformation of a protein kinase, a crystallized protein kinase in the open conformation, and uses thereof. The compounds and compositions described herein are useful for treating and preventing an inflammatory condition or disease.

  本发明涉及一种具有以下式子的化合物，其中R1、R2、R3、R4、G和Q在此定义。本发明的化合物可用作蛋白激酶的抑制剂。本发明还涉及包含上述式子的化合物的组合物。本发明还涉及稳定蛋白激酶开放构象的化合物、晶化的蛋白激酶在开放构象下的化合物和使用它们的方法。本文描述的化合物和组合物可用于治疗和预防炎症状况或疾病。