1-(2,2-二甲基丙基)哌啶-4-胺 | 1014695-10-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 1-(2,2-二甲基丙基)哌啶-4-胺
• 英文名称: 1-neo-pentylpiperidin-4-amine
• 英文别名: 1-Neopentylpiperidin-4-amine；1-(2,2-dimethylpropyl)piperidin-4-amine
• CAS: 1014695-10-3
• 化学式: C₁₀H₂₂N₂
• 分子量: 170.298
• InChiKey: BJOFVKOYOSXKPD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  29.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  1-(2,2-二甲基丙基)哌啶-4-胺 、 2-(4-methyl-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]indole-7-carboxamido)thiazole-4-carboxylic acid 在 4-二甲氨基吡啶 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[(4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carbonyl)amino]-1,3-thiazole-4-carboxamide
  参考文献：
  名称：

  Pyrazinoindolone inhibitors of MAPKAP-K2

  摘要：

  Optimization of pyrazinoindolone inhibitors of MAPKAP-K2 (MK2) provides a reasonable balance of cellular potency and physicochemical properties. Mechanistic studies support the inhibition of MK2 which is responsible for the sub-micromolar cellular efficacy. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.12.037
• 作为产物：
  描述：

  4-(N-苄氧羰基)-氨基哌啶 在 palladium 10% on activated carbon 、 氢气 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 21.5h， 生成 1-(2,2-二甲基丙基)哌啶-4-胺
  参考文献：
  名称：

  Discovery of 2-substituted 1 H -benzo[ d ]immidazole-4-carboxamide derivatives as novel poly(ADP-ribose)polymerase-1 inhibitors with in vivo anti-tumor activity

  摘要：

  Novel 1H-benzo[d]immidazole-4-carboxamide derivatives bearing five-membered or six-membered N-heterocyclic moieties at the 2-position were designed and synthesized as PARP-1 inhibitors. Structure activity relationships were conducted and led to a number of potent PARP-1 inhibitors having IC50 values in the single or double digit nanomolar level. Some potent PARP-1 inhibitors also had similar inhibitory activities against PARP-2. Among all the synthesized compounds, compound 10a and 11e displayed strong potentiation effects on temozolomide (TMZ) in MX-1 cells (PF50 = 7.10, PF50 = 4.17). In vivo tumor growth inhibition was investigated using compound 10a in combination with TMZ, and it was demonstrated that compound 10a could strongly potentiate the cytotoxicity of TMZ in MX-1 xenograft tumor model. Two co-crystal structures of compounds 11b and 15e complexed with PARP-1 were achieved and demonstrated a unique binding mode of these benzo-imidazole derivatives. (C) 2017 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2017.03.013

文献信息

• COMPOSITIONS FOR BINDING SPHINGOSINE-1-PHOSPHATE RECEPTOR 1 (S1P1), IMAGING OF S1P1, AND METHODS OF USE THEREOF
  申请人：Tu Zhude

  公开号：US20190002450A1

  公开（公告）日：2019-01-03

  Among the various aspects of the present disclosure is the provision of a compositions for binding sphingosine-1-phosphate receptor 1 (S1P1), imaging of S1P1, and methods of use thereof. Provided are imaging agents for imaging S1P1 and S1P1 associated diseases, disorders, and conditions. Also provided are therapeutic compositions and methods for the treatment of S1P1 associated diseases, disorders, and conditions.

  本公开的各个方面之一是提供一种用于结合鞘氨醇-1-磷酸受体1（S1P1）、S1P1成像以及使用方法的组合物。提供了用于成像S1P1和S1P1相关疾病、紊乱和症状的成像剂。还提供了用于治疗S1P1相关疾病、紊乱和症状的治疗组合物和方法。
• SERINE/THREONINE KINASE INHIBITORS
  申请人：Genentech, Inc.

  公开号：US20140323477A1

  公开（公告）日：2014-10-30

  Compounds having the formula I, or a pharmaceutically acceptable salt thereof, wherein R 1 , R 2 , X 1 , X 2 , and Ar are as defined herein, are inhibitors of PAK1. Also disclosed are compositions and methods for treating cancer and hyperproliferative disorders using such compounds.

  具有公式I或其药用可接受的盐的化合物，其中R1、R2、X1、X2和Ar如本文所定义，是PAK1的抑制剂。还公开了使用这些化合物治疗癌症和增生性疾病的组合物和方法。
• Gyrase inhibitors
  申请人：Yager Kraig

  公开号：US20050054697A1

  公开（公告）日：2005-03-10

  Compounds comprising an indazolyl group and a thiazolyl group, preferably 7-substituted 3-(thiazol-2-yl)-1H-indazole compounds in which the indazolyl group and a thiazolyl group are each independently optionally substituted, are useful for the treatment or prophylaxis of bacterial infections in mammals. The compounds are believed to function by inhibiting gyrase B.

  含有吲唑基团和噻唑基团的化合物，优选为7-取代的3-(噻唑-2-基)-1H-吲唑化合物，其中吲唑基团和噻唑基团各自可选择性地被取代，适用于治疗或预防哺乳动物的细菌感染。据信这些化合物通过抑制酶A来发挥作用。
• 5-SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF
  申请人：Samumed, LLC

  公开号：US20150266825A1

  公开（公告）日：2015-09-24

  Indazole compounds for treating various diseases and pathologies are disclosed. More particularly, the present disclosure concerns the use of an indazole compound or analogs thereof, in the treatment of disorders characterized by the activation of Wnt pathway signaling (e.g., cancer, abnormal cellular proliferation, angiogenesis, Alzheimer's disease, lung disease, fibrotic disorders, cartilage (chondral) defects, and osteoarthritis), the modulation of cellular events mediated by Wnt pathway signaling, and neurological conditions/disorders/diseases linked to overexpression of DYRK1A.

  本文披露了用于治疗各种疾病和病理的吲唑化合物。更具体地，本公开涉及使用吲唑化合物或其类似物来治疗通过激活Wnt通路信号特征的疾病（例如癌症、异常细胞增殖、血管生成、阿尔茨海默病、肺部疾病、纤维化疾病、软骨（软骨）缺陷和骨关节炎），调节由Wnt通路信号介导的细胞事件，以及与DYRK1A过表达相关的神经系统状况/障碍/疾病。
• 5-HETEROARYL SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF
  申请人：Samumed, LLC

  公开号：US20190263821A1

  公开（公告）日：2019-08-29

  Indazole compounds for treating various diseases and pathologies are disclosed. More particularly, the present disclosure concerns the use of an indazole compound or analogs thereof, in the treatment of disorders characterized by the activation of Wnt pathway signaling (e.g., tendinopathy, dermatitis, psoriasis, morphea, ichthyosis, Raynaud's syndrome, Darier's disease, scleroderma, cancer, abnormal cellular proliferation, angiogenesis, Alzheimer's disease, lung disease, and osteoarthritis), the modulation of cellular events mediated by Wnt pathway signaling, as well as neurological conditions/disorders/diseases linked to overexpression of DYRK1A.

  披露了用于治疗各种疾病和病理的吲唑化合物。更具体地说，本公开涉及使用吲唑化合物或其类似物来治疗由Wnt途径信号激活所特征的疾病（例如肌腱病、皮炎、牛皮癣、硬皮病、鱼鳞病、雷诺综合症、达里氏病、硬皮病、癌症、异常细胞增殖、血管生成、阿尔茨海默病、肺病和骨关节炎），以及通过Wnt途径信号介导的细胞事件的调节，以及与DYRK1A过度表达相关的神经病理状况/疾病。