4-(氨基甲基)环己酮 | 934475-93-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-(氨基甲基)环己酮
• 英文名称: 4-(Aminomethyl)cyclohexanone
• 英文别名: 4-(aminomethyl)cyclohexan-1-one
• CAS: 934475-93-1
• 化学式: C₇H₁₃NO
• mdl: MFCD11040610
• 分子量: 127.186
• InChiKey: YCONSIXZNJVTBN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(氨基甲基)环己酮 在 2,6-二甲基吡啶 、 1-羟基苯并三唑 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 生成 4-({[4-(5-cyano-7-isopropyl-1,3-benzoxazol-2-yl)benzoyl]amino}methyl)cyclohex-1-en-1-yl trifluoromethanesulfonate
  参考文献：
  名称：

  2-(4-Carbonylphenyl)benzoxazole inhibitors of CETP: Attenuation of hERG binding and improved HDLc-raising efficacy

  摘要：

  The development of 2-phenylbenzoxazoles as inhibitors of cholesteryl ester transfer protein (CETP) is described. Efforts focused on finding suitable replacements for the central piperidine with the aim of reducing hERG binding: a main liability of our benchmark benzoxazole (1a). Replacement of the piperidine with a cyclohexyl group successfully attenuated hERG binding, but was accompanied by reduced in vivo efficacy. The approach of substituting a piperidine moiety with an oxazolidinone also attenuated hERG binding. Further refinement of this latter scaffold via SAR at the pyridine terminus and methyl branching on the oxazolidinone led to compounds 7e and 7f, which raised HDLc by 33 and 27 mg/dl, respectively, in our transgenic mouse PD model and without the hERG liability of previous series. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.02.049
• 作为产物：
  描述：

  1-Methoxy-2-azabicyclo<2.2.2>octan 在 盐酸 作用下， 生成 4-(氨基甲基)环己酮
  参考文献：
  名称：

  Preparation and decomposition of 1-azidonorbornane

  摘要：

  DOI：

  10.1021/jo00818a030

文献信息

• [EN] LIVER X RECEPTORS (LXR) MODULATORS<br/>[FR] MODULATEURS DES RÉCEPTEURS HÉPATIQUES X (LXR)
  申请人：PHENEX FXR GMBH

  公开号：WO2018188795A1

  公开（公告）日：2018-10-18

  The present invention relates to sulfonamide-, sulfinamide- or sulfonimidamide containing compounds which bind to the liver X receptor (LXRa and/or LXRß) and act preferably as inverse agonists of LXR.

  本发明涉及含有磺胺基、亚砜基或磺胺亚胺基的化合物，这些化合物与肝X受体（LXRα和/或LXRß）结合，并且作为LXR的拮抗剂。
• [EN] BROAD-SPECTRUM CARBAPENEMS<br/>[FR] CARBAPÉNÈMES À LARGE SPECTRE
  申请人：VENATORX PHARMACEUTICALS INC

  公开号：WO2021101620A1

  公开（公告）日：2021-05-27

  The present disclosure provides broad-spectrum carbapenem derivatives and pharmaceutical compositions useful in the treatment of bacterial infections and methods for treating such infections using such derivatives and/or compositions.

  本公开提供了广谱头孢菌素衍生物和制药组合物，用于治疗细菌感染，并提供了使用这些衍生物和/或组合物治疗此类感染的方法。
• HETERO RING DERIVATIVE
  申请人：Takahashi Fumie

  公开号：US20120165309A1

  公开（公告）日：2012-06-28

  [Object] A novel and excellent method for preventing or treating rejection in the transplantation of various organs, allergy diseases, autoimmune diseases, hematologic tumor, or the like, based on a PI3Kδ-selective inhibitory action and/or an IL-2 production inhibitory action, and/or a B cell proliferation inhibitory action (including an activation inhibitory action), is provided [Means for Solution] It was found that a 3-substituted triazine or 3-substituted pyrimidine derivative exhibits a PI3Kδ-selective inhibitory action, and/or an IL-2 production inhibitory action, and/or a B cell proliferation inhibitory action (including an activation inhibitory action), and can be an agent for preventing or treating rejection in the transplantation of various organs, allergy diseases (asthma, atopic dermatitis, etc.), autoimmune diseases (rheumatoid arthritis, psoriasis, ulcerative colitis, Crohn's disease, systemic lupus erythematosus, etc.), hematologic tumor (leukemia etc.), or the like, thereby completing the present invention.

  [目标]提供一种基于PI3Kδ选择性抑制作用和/或IL-2产生抑制作用和/或B细胞增殖抑制作用（包括激活抑制作用）的新颖优良方法，用于预防或治疗各种器官移植、过敏性疾病、自身免疫性疾病、血液肿瘤等的排斥反应。 [解决方案]发现3-取代-1,3,5-三嗪或3-取代嘧啶衍生物表现出PI3Kδ选择性抑制作用和/或IL-2产生抑制作用和/或B细胞增殖抑制作用（包括激活抑制作用），可以作为预防或治疗各种器官移植、过敏性疾病（哮喘、特应性皮炎等）、自身免疫性疾病（类风湿性关节炎、银屑病、溃疡性结肠炎、克罗恩病、系统性红斑狼疮等）、血液肿瘤（白血病等）等排斥反应的药物，从而完成了本发明。
• Discovery of non-zwitterionic aryl sulfonamides as Nav1.7 inhibitors with efficacy in preclinical behavioral models and translational measures of nociceptive neuron activation
  作者：Yong-Jin Wu、Jason Guernon、Andrea McClure、Guanglin Luo、Ramkumar Rajamani、Alicia Ng、Amy Easton、Amy Newton、Clotilde Bourin、Dawn Parker、Kathleen Mosure、Omar Barnaby、Matthew G. Soars、Ronald J. Knox、Michele Matchett、Rick Pieschl、James Herrington、Ping Chen、D.V. Sivarao、Linda J. Bristow、Nicholas A. Meanwell、Joanne Bronson、Richard Olson、Lorin A. Thompson、Carolyn Dzierba

  DOI：10.1016/j.bmc.2017.08.012

  日期：2017.10

  Since zwitterionic benzenesulfonamide Na(v)1.7 inhibitors suffer from poor membrane permeability, we sought to eliminate this characteristic by replacing the basic moiety with non-basic bicyclic acetals and monocyclic ethers. These efforts led to the discovery of the non-zwitterionic aryl sulfonamide 49 as a selective Na(v)1.7 inhibitor with improved membrane permeability. Despite its moderate cellular activity, 49 exhibited robust efficacy in mouse models of neuropathic and inflammatory pain and modulated translational electromyogram measures associated with activation of nociceptive neurons. (C) 2017 Elsevier Ltd. All rights reserved.
• LIVER X RECEPTORS (LXR) MODULATORS
  申请人：Phenex-FXR GmbH

  公开号：EP3609880A1

  公开（公告）日：2020-02-19