1-(二(4-氯苯基)甲基)-4-甲基哌嗪 | 101784-44-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(二(4-氯苯基)甲基)-4-甲基哌嗪
• 英文名称: 1-(bis(4-chlorophenyl)methyl)-4-methylpiperazine
• 英文别名: 1-(4,4'-dichloro-benzhydryl)-4-methyl-piperazine；1-(4,4'-Dichlor-benzhydryl)-4-methyl-piperazin；Chlorcyclizin；1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine
• CAS: 101784-44-5
• 化学式: C₁₈H₂₀Cl₂N₂
• 分子量: 335.276
• InChiKey: UVQVBDRHJUMBET-UHFFFAOYSA-N

物化性质

• 溶解度：
  DMF：20mg/mL； DMF:PBS(pH7.2)(1:2)：0.3mg/ml； DMSO：20mg/mL；乙醇：16mg/mL

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4,4'-二氯二苯甲酮 在 sodium tetrahydroborate 、 氯化亚砜 、 potassium carbonate 、 N,N-二甲基甲酰胺 、 potassium iodide 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 反应 51.0h， 生成 1-(二(4-氯苯基)甲基)-4-甲基哌嗪
  参考文献：
  名称：

  Discovery, Optimization, and Characterization of Novel Chlorcyclizine Derivatives for the Treatment of Hepatitis C Virus Infection

  摘要：

  Recently, we reported that chlorcyclizine (CCZ, Rac-2), an over-the-counter antihistamine piperazine drug, possesses in vitro and in vivo activity against hepatitis C virus. Here, we describe structure activity relationship (SAR) efforts that resulted in the optimization of novel chlorcyclizine derivatives as anti-HCV agents. Several compounds exhibited EC50 values below 10 nM against HCV infection, cytotoxicity selectivity indices above 2000, and showed improved in vivo pharmacokinetic properties. The optimized molecules can serve as lead preclinical candidates for the treatment of hepatitis C virus infection and as probes to study hepatitis C virus pathogenesis and host virus interaction.

  DOI：

  10.1021/acs.jmedchem.5b00752

文献信息

• [EN] PIPERIDINE AND PIPERAZINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS AND CANCER<br/>[FR] DÉRIVÉS PIPÉRIDINE ET PIPÉRAZINE ET LEUR UTILISATION POUR TRAITER LES INFECTIONS VIRALES ET LE CANCER
  申请人：US HEALTH

  公开号：WO2015080949A1

  公开（公告）日：2015-06-04

  Disclosed are compounds of formula (I) (formula I),as antiviral agents, antineoplastic agents, pharmaceutical compositions comprising such compounds, and a method of use of these compounds, wherein X and Y are independently CH or N, o is 0, 1 or 2, and E is absent or is (CR13 R14 )m, NH, or S, F is absent or is (CR15 R16 )n, C=O, or -SO2 -, G is absent or is (CR17 CR18 )r, H is absent or is C=O, or -SO2 - and R1, Ar1, Ar2 are as defined in the specification. These compounds are antiviral agents and are contemplated in the treatment of viral infections, for example, hepatitis C, or are antineoplastic agents.

  揭示了化合物的结构式（I）（式I），作为抗病毒剂、抗肿瘤剂，包括这些化合物的药物组合物，以及这些化合物的使用方法，其中X和Y分别为CH或N，o为0、1或2，E不存在或为（CR13 R14）m、NH或S，F不存在或为（CR15 R16）n、C=O或-SO2-，G不存在或为（CR17 CR18）r，H不存在或为C=O或-SO2-，R1、Ar1、Ar2如规范中所定义。这些化合物是抗病毒剂，可用于治疗病毒感染，例如丙型肝炎，或作为抗肿瘤剂。
• 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis
  申请人：Tsubouchi Hidetsugu

  公开号：US20080119478A1

  公开（公告）日：2008-05-22

  The present invention provides a 2,3-dihydro-6-nitroimidazo[2,1-b]oxazole compound represented by the following general formula: (1) in the above formula (1), R1 represents a hydrogen atom or C1-C6 alkyl group, n represents an integer of 0 to 6, R1 and —(CH2) n R2 may form a spiro ring represented by the formula (30) below, together with the adjacent carbon atom (in the formula below, RRR represents a piperidyl group which may have substituents on the piperidine ring), (30) and R2 represents a benzothiazolyloxy group, quinolyloxy group, pyridyloxy group or the like. The present compound has an excellent bactericidal action against Mycobacterium tuberculosis , multi-drug-resistant Mycobacterium tuberculosis , and atypical acid-fast bacteria.

  本发明提供了一种由下述通式（1）表示的2,3-二氢-6-硝基咪唑[2,1-b]噁唑化合物： 在上述式（1）中，R1代表氢原子或C1-C6烷基，n代表0到6的整数，R1和—(CH2)nR2可以与相邻的碳原子形成如下式（30）所示的螺环，其中，在下式中，RRR代表可能在哌啶环上具有取代基的哌啶基： （30）且R2代表苯并噻唑氧基、喹啉氧基、吡啶氧基或类似基团。该化合物对结核分枝杆菌、多重耐药结核分枝杆菌和非典型酸杆菌具有优异的杀菌作用。
• [EN] GPX4 PROTEIN DEGRADATION-INDUCING COMPOUND<br/>[FR] COMPOSÉ INDUISANT LA DÉGRADATION DE LA PROTÉINE GPX4<br/>[KO] GPX4 단백질 분해 유도 화합물
  申请人：UPPTHERA

  公开号：WO2022119362A1

  公开（公告）日：2022-06-09

  본 발명은 GPX4 단백질 분해 유도 화합물에 관한 것이다. 구체적으로, 본 발명은 GPX4 단백질 결합 모이어티와 CRBN E3 유비퀴틴 라이게이즈 결합 모이어티가 화학적 링커로 연결된 이기능성 화합물, 이의 제조방법, 이를 활용한 GPX4 단백질의 분해 방법 및 GPX4 관련 질환 또는 페롭토시스 관련 질환의 예방 또는 치료 용도 등을 제공한다.

  这项发明涉及GPX4蛋白质降解诱导化合物。具体而言，本发明提供了一种将GPX4蛋白质结合模因子和CRBN E3泛素连接酶结合模因子通过化学连接剂连接的这种功能化合物、其制备方法、利用其分解GPX4蛋白质的方法以及预防或治疗与GPX4相关疾病或过氧化脂质症相关疾病的用途等。
• REMEDIES/PREVENTIVES FOR FREQUENT URINATION/URINARY INCONTINENCE AND TROPONE DERIVATIVES
  申请人：Nippon Kayaku Kabushiki Kaisha

  公开号：EP0995741A1

  公开（公告）日：2000-04-26

  Remedies / preventives (therapeutic or preventive agents) against frequent urination (pollakiuria) / urinary incontinence which contain as an active ingredient compound having a tropone structure or pharmacologically acceptable salt thereof and a novel compound having the tropone structure. The compounds having a tropone structure and having the above pharmacological effects are those represented by, for example, general (1): wherein R1 and R2 represent each a hydrogen atom, lower alkyl group, etc., R3 represents -OR or -NR2 ; R4, R5 and R12 represents each a hydrogen atom or a lower alkyl group, X represents a nitrogen atom or CH, Z represents -CHAr2, an unsubstituted or substituted phenyl, etc. m is 1 or 2. These compounds are novel ones excluding those wherein Z is -CH Ar2.

  针对尿频（pollakiuria）/尿失禁的补救剂/预防剂（治疗剂或预防剂），其活性成分包含具有托品酮结构的化合物或其药理学上可接受的盐，以及具有托品酮结构的新型化合物。具有托品酮结构并具有上述药理作用的化合物是由例如通式（1）所代表的化合物： 其中 R1 和 R2 分别代表氢原子、低级烷基等，R3 代表-OR 或-NR2；R4、R5 和 R12 分别代表氢原子或低级烷基，X 代表氮原子或 CH，Z 代表-CHAr2、未取代或取代的苯基等，m 为 1 或 2。这些化合物均为新型化合物，不包括 Z 为-CH Ar2 的化合物。
• UNSYMMETRICALLY DISUBSTITUTED PIPERAZINES. III. N-METHYL-N'-BENZHYDRYLPIPERAZINES AS HISTAMINE ANTAGONISTS¹
  作者：RICHARD BALTZLY、SHIRLEY DuBREUIL、WALTER S. IDE、EMIL LORZ

  DOI：10.1021/jo01157a009

  日期：1949.9