3-(dimethylamino)cyclohexane-1-carboxylic acid | 36268-42-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3-(dimethylamino)cyclohexane-1-carboxylic acid
• 英文别名: cis-, trans-3-Dimethylamino-cyclohexancarbonsaeure
• CAS: 36268-42-5
• 化学式: C₉H₁₇NO₂
• 分子量: 171.239
• InChiKey: HHGLAYBFCJGDEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(dimethylamino)cyclohexane-1-carboxylic acid 、 N3-(naphthalen-1-yl)-1H-indazole-3,5-diamine 在 HATU 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.25h， 生成 3-(dimethylamino)-N-(3-(naphthalen-1-ylamino)-1H-indazol-5-yl)cyclohexane-1-carboxamide
  参考文献：
  名称：

  In Silico HTS and Structure Based Optimization of Indazole-Derived ULK1 Inhibitors

  摘要：

  We present the outcome of an in silico high throughput screen (HTS) and optimization of a small molecule Unc-51-Like Kinase 1 (ULK1) inhibitor hit, SR-17398, with an indazole core. Docking studies guided design efforts that led to inhibitors with increased activity vs ULK1 (IC50 < 50 nM). The most advanced molecules in this inhibitor series (3a and 3g) hold promise for further development into selective ULK1 molecular probes to interrogate the biology of ULK1 and to assess whether selectively targeting autophagy is an effective anticancer strategy.

  DOI：

  10.1021/acsmedchemlett.7b00344

文献信息

• [EN] LIPID NANOPARTICLE FORMULATIONS<br/>[FR] FORMULATIONS DE NANOPARTICULES LIPIDIQUES
  申请人：ACUITAS THERAPEUTICS INC

  公开号：WO2018081480A1

  公开（公告）日：2018-05-03

  Improved formulations of lipid nanoparticles are provided. Use of the lipid nanoparticles for delivery of a therapeutic agent and methods for their preparation are also provided.

  提供了改进的脂质纳米粒子配方。还提供了利用这些脂质纳米粒子传递治疗剂的方法以及它们的制备方法。
• [EN] KRAS MUTANT PROTEIN INHIBITOR<br/>[FR] INHIBITEUR DE PROTÉINE MUTANTE KRAS
  申请人：JACOBIO PHARMACEUTICALS CO LTD

  公开号：WO2021023247A1

  公开（公告）日：2021-02-11

  A KRAS mutant protein inhibitor, as shown by formula (I), a composition containing the inhibitor and the use thereof.

  一种KRAS突变蛋白抑制剂，如公式(I)所示，含有该抑制剂的组合物及其用途。
• Indeno [1,2-c]pyrazol-4-ones and their uses
  申请人：——

  公开号：US20010027195A1

  公开（公告）日：2001-10-04

  The present invention relates to the synthesis of a new class of indeno[1,2-c]pyrazol-4-ones of formula (I): 1 that are potent inhibitors of the class of enzymes known as cyclin dependent kinases, which relate to the catalytic subunits cdk1-9 and their regulatory subunits know as cyclins A-H. This invention also provides a novel method of treating cancer or other proliferative diseases by administering a therapeutically effective amount of one of these compounds or a pharmaceutically acceptable salt form thereof. Alternatively, one can treat cancer or other proliferative diseases by administering a therapeutically effective combination of one of the compounds of the present invention and one or more other known anti-cancer or anti-proliferative agents.

  本发明涉及合成一种新类别的indeno[1,2-c]pyrazol-4-ones化合物，其化学式为(I):1，这些化合物是一类名为细胞周期依赖性激酶的酶的强效抑制剂，与催化亚基cdk1-9及其调节亚基cyclins A-H有关。本发明还提供了一种新颖的治疗癌症或其他增生性疾病的方法，即通过给予这些化合物中的一种或其药用可接受的盐形式的治疗有效剂量。另外，可以通过给予本发明化合物之一与一种或多种其他已知的抗癌或抗增生剂的治疗有效组合来治疗癌症或其他增生性疾病。
• KRAS MUTANT PROTEIN INHIBITORS
  申请人：Jacobio Pharmaceuticals Co., Ltd.

  公开号：US20210040089A1

  公开（公告）日：2021-02-11

  The invention relates to a KRAS mutant protein inhibitor, as shown by formula (I), a composition containing the inhibitor and the use thereof.
• US6407103B2
  申请人：——

  公开号：US6407103B2

  公开（公告）日：2002-06-18