4-乙酰氨基环己烷-1-羧酸 | 90942-88-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 4-乙酰氨基环己烷-1-羧酸
• 英文名称: 4-acetamidocyclohexane-1-carboxylic acid
• 英文别名: Acedoben；cis-4-Acetamidocyclohexanecarboxylic acid
• CAS: 90942-88-4
• 化学式: C₉H₁₅NO₃
• 分子量: 185.223
• InChiKey: RQFVEAIRYQPUCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-乙酰氨基环己烷-1-羧酸 在 potassium carbonate 、 1-丙基磷酸酐 、 N,N-二异丙基乙胺 作用下， 以 甲醇 、 乙酸乙酯 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 5.17h， 生成
  参考文献：
  名称：

  1,2,4-三唑基5-氮杂螺[2.4]庚烷：一系列新的有力和选择性多巴胺D3受体拮抗剂的铅识别和早期铅优化

  摘要：

  描述了一个新的1,2,4-三唑基5-氮杂螺[2.4]庚烷系列，对多巴胺（DA）D3受体（D3R）具有高亲和力和选择性。这些化合物中的一些在hERG通道上也具有很高的选择性，并且在铅鉴定和早期铅优化阶段的体内和体外药代动力学特性方面进行了表征。选择了一些具有总体良好的可开发性特征的衍生物用于进一步的后期铅优化研究。

  DOI：

  10.1021/acs.jmedchem.6b00972

文献信息

• Nitrogen-containing heterocyclic compound and use thereof
  申请人：Ikeura Yoshinori

  公开号：US20090156572A1

  公开（公告）日：2009-06-18

  The present invention relates to a compound represented by the formula wherein ring A is a nitrogen-containing heterocycle optionally further having substituent(s), ring B is an aromatic ring optionally having substituent(s), ring C is a cyclic group optionally having substituent(s), R 1 is a hydrogen atom, a hydrocarbon group optionally having substituent(s), an acyl group, a heterocyclic group optionally having substituent(s) or an amino group optionally having substituent(s), R 2 is an optionally halogenated C 1-6 alkyl group, m and n are each an integer of 0 to 5, m+n is an integer of 2 to 5, and is a single bond or a double bond, or a salt thereof and the like. Since the compound has a superior tachykinin receptor antagonistic action, and is useful as an agent for the prophylaxis or treatment of various diseases such as lower urinary tract diseases, gastrointestinal diseases, central nervous system diseases and the like.

  本发明涉及一种由下式表示的化合物：其中环A是含氮杂环，可选择地进一步具有取代基，环B是芳香环，可选择地具有取代基，环C是环状基团，可选择地具有取代基，R1是氢原子，一个碳氢基团，可选择地具有取代基，酰基，一个杂环基团，可选择地具有取代基或一个氨基团，可选择地具有取代基，R2是可选择卤代的C1-6烷基基团，m和n分别是0到5的整数，m+n是2到5的整数，是单键或双键，或其盐等。由于该化合物具有优越的催吐肽受体拮抗作用，可用作预防或治疗多种疾病的药物，如下尿道疾病、胃肠道疾病、中枢神经系统疾病等。
• [EN] BETA-LACTAMASE INHIBITORS AND THEIR PREPARATION<br/>[FR] INHIBITEURS DE BÊTA-LACTAMASE ET LEUR PRÉPARATION
  申请人：NINGXIA ACADEMY AGRICULTURE & FORESTRY SCIENCES

  公开号：WO2022047603A1

  公开（公告）日：2022-03-10

  Provided herein are novel β-lactamase inhibitors, for the treatment of bacterial infections in combination with β-lactam antibiotics, including infection caused by drug resistant organisms and especially multi-drug resistant organisms. It includes compounds according to formula (I): or pharmaceutically acceptable salts thereof, wherein M and R are as defined herein.

  本文提供了一种新型的β-内酰胺酶抑制剂，用于与β-内酰胺类抗生素结合治疗细菌感染，包括由耐药性细菌引起的感染，尤其是多重耐药性细菌。它包括按照以下公式（I）的化合物或其药用盐，其中M和R如本文所定义。
• β-Lactamase inhibition profile of new amidine-substituted diazabicyclooctanes
  作者：Zafar Iqbal、Lijuan Zhai、Yuanyu Gao、Dong Tang、Xueqin Ma、Jinbo Ji、Jian Sun、Jingwen Ji、Yuanbai Liu、Rui Jiang、Yangxiu Mu、Lili He、Haikang Yang、Zhixiang Yang

  DOI：10.3762/bjoc.17.60

  日期：——

  The diazabicyclooctane (DBO) scaffold is the backbone of non-β-lactam-based second generation β-lactamase inhibitors. As part of our efforts, we have synthesized a series of DBO derivatives A1–23 containing amidine substituents at the C2 position of the bicyclic ring. These compounds, alone and in combination with meropenem, were tested against ten bacterial strains for their antibacterial activity in vitro. All compounds did not show antibacterial activity when tested alone (MIC >64 mg/L), however, they exhibited a moderate inhibition activity in the presence of meropenem by lowering its MIC values. The compound A12 proved most potent among the other counterparts against all bacterial species with MIC from <0.125 mg/L to 2 mg/L, and is comparable to avibactam against both E. coli strains with a MIC value of <0.125 mg/L.

  重氮双环辛烷（DBO）支架是非β-内酰胺类第二代β-内酰胺酶抑制剂的骨架。作为研究工作的一部分，我们合成了一系列 DBO 衍生物 A1-23，这些衍生物在双环的 C2 位含有脒取代基。这些化合物单独或与美罗培南复配，针对十种细菌菌株进行了体外抗菌活性测试。所有化合物在单独测试时均未显示出抗菌活性（MIC 为 64 毫克/升），但在美罗培南存在的情况下，它们显示出适度的抑制活性，降低了美罗培南的 MIC 值。事实证明，化合物 A12 对所有细菌种类都具有最强的抗菌活性，其 MIC 值为 0.125 mg/L 至 2 mg/L，对两种大肠杆菌菌株的 MIC 值均为 0.125 mg/L，与阿维菌素相当。
• [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof
  申请人：Masuda Akira

  公开号：US20070010515A1

  公开（公告）日：2007-01-11

  Novel [1,2,4]triazolo[1,5-a]pyrimidine derivative of the general formula (1): (1) its prodrug or a pharmaceutically acceptable salt thereof, which exhibits an antigen presentation inhibiting activity and is useful as a preventive and/or therapeutic agent for immunological rejection and/or graft versus host reaction in organ/bone marrow transplant, autoimmune disease, allergic disease and/or inflammatory disease and also useful as an anticancer drug or as an immunological tolerance inducer for transplanted organ/transplanted bone marrow.

  这是一种通式为(1)的[1,2,4]三唑并[1,5-a]嘧啶衍生物的小说，其中(1)是其前药或其药学上可接受的盐，具有抗原呈递抑制活性，可用作预防和/或治疗器官/骨髓移植、自身免疫性疾病、过敏性疾病和/或炎症性疾病的免疫排斥和/或移植物抗宿主反应的预防和/或治疗剂，同时也可用作抗癌药物或用于移植器官/移植骨髓的免疫耐受诱导剂。
• METHOD FOR PREPARING TRANS-ACETIC ACID ESTER
  申请人：Kusakabe Taichi

  公开号：US20110288328A1

  公开（公告）日：2011-11-24

  A method for preparing a trans-4-[(alkylamino)methyl]cyclohexyl}acetic acid, which is useful as a raw material compound for manufacture of medicaments and the like, comprising the step of reducing amide group of a compound represented by the following general formula (6) (R 1 represents hydrogen atom or a C 1-6 alkyl group, and R 2 represents a C 1-6 alkyl group, a C 3-6 cycloalkyl group, a (C 3-6 cycloalkyl)(C 1-6 alkyl) group, a C 6-10 aryl group, or a C 7-12 aralkyl group).

  一种制备用于制药物等的原料化合物的反-4-[(烷基氨基)甲基]环己基}乙酸的方法，包括还原以下通式（6）所表示的化合物的酰胺基团的步骤（其中R1表示氢原子或C1-6烷基，R2表示C1-6烷基，C3-6环烷基，（C3-6环烷基）（C1-6烷基）基团，C6-10芳基或C7-12芳基烷基）。