1-(4-(甲基)苯基)-N,N-二甲基甲胺盐酸盐 | 242452-35-3

• 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-(4-(甲基)苯基)-N,N-二甲基甲胺盐酸盐
• 英文名称: 1-(4-(aminomethyl)phenyl)-N,N-dimethylmethanamine hydrochloride
• 英文别名: 1-(4-(Aminomethyl)phenyl)-N,N-dimethylmethanamine hydrochloride；[4-[(dimethylamino)methyl]phenyl]methanamine;hydrochloride
• CAS: 242452-35-3
• 化学式: C₁₀H₁₆N₂*ClH
• 分子量: 200.711
• InChiKey: LFCMEOQPOFYDRK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.63
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  29.3
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335

反应信息

• 作为反应物：
  描述：

  1-(4-(甲基)苯基)-N,N-二甲基甲胺盐酸盐 、 ethyl 4-oxo-3H,4H-thieno[2,3-d]pyrimidine-5-carboxylate 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 18.0h， 以19%的产率得到N-{4-[(dimethylamino)methyl]benzyl}-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide
  参考文献：
  名称：

  Selective Inhibitors of Bacterial t-RNA-(N¹G37) Methyltransferase (TrmD) That Demonstrate Novel Ordering of the Lid Domain

  摘要：

  The tRNA-(N(1)G37) methyltransferase (TrmD) is essential for growth and highly conserved in both Gram-positive and Gram-negative bacterial pathogens. Additionally, TrmD is very distinct from its human orthologue TRM5 and thus is a suitable target for the design of novel antibacterials. Screening of a collection of compound fragments using Haemophilus influenzae TrmD identified inhibitory, fused thieno-pyrimidones that were competitive with S-adenosylmethionine (SAM), the physiological methyl donor substrate. Guided by X-ray cocrystal structures, fragment 1 was elaborated into a nanomolar inhibitor of a broad range of Gram-negative TrmD isozymes. These compounds demonstrated no activity against representative human SAM utilizing enzymes, PRMT1 and SET7/9. This is the first report of selective, nanomolar inhibitors of TrmD with demonstrated ability to order the TrmD lid in the absence of tRNA.

  DOI：

  10.1021/jm400718n
• 作为产物：
  描述：

  4-[(二甲基氨基)甲基]苯甲腈 在 硼烷四氢呋喃络合物 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 以92.6%的产率得到1-(4-(甲基)苯基)-N,N-二甲基甲胺盐酸盐
  参考文献：
  名称：

  [EN] ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF
  [FR] MODULATEURS ALLOSTÉRIQUES DES RÉCEPTEURS NICOTINIQUES DE L'ACÉTYLCHOLINE DE TYPE ALPHA 7, LEURS DÉRIVÉS ET LEURS UTILISATIONS

  摘要：

  本申请涉及由式I表示的化合物，这些化合物是α7 nAChRs的新型阳性变构调节剂。该申请还披露了通过给哺乳动物施用式I化合物的有效量来增强乙酰胆碱在α7 nAChRs上的作用以治疗对增强乙酰胆碱作用敏感的疾病。

  公开号：

  WO2016144792A1

文献信息

• Non-peptide GnRH agents, methods and intermediates for their preparation
  申请人：Pfizer Inc.

  公开号：US20040010033A1

  公开（公告）日：2004-01-15

  Non-peptide GnRH agents capable of inhibiting the effect of gonadotropin-releasing hormone are described. Such compounds and their pharmaceutically acceptable salts, multimers, prodrugs, and active metabolites are suitable for treating mammalian reproductive disorders and steroid hormone-dependent tumors as well as for regulating fertility, where suppression of gonadotropin release is indicated. Methods for synthesizing the compounds and intermediates useful in their preparation are also described.

  描述了能够抑制促性腺激素释放激素作用的非肽类GnRH药物。这些化合物及其药用盐、多聚体、前药和活性代谢物适用于治疗哺乳动物的生殖障碍和类固醇激素依赖性肿瘤，以及调节生育能力，其中指示抑制促性腺激素释放。还描述了合成这些化合物和在其制备中有用的中间体的方法。
• Indole derivatives as inhibitors or factor Xa
  申请人：Aventis Pharma Deutschland GmbH

  公开号：US06337344B1

  公开（公告）日：2002-01-08

  The present invention relates to the inhibition of blood clotting proteins, and more particularly, to indole derivatives of formula (I), in which R1a, R1b, R1c R1d, R2, R3, R4 and A are defined as indicated in the claims. The compounds of formula (I) are inhibitors of the blood clotting enzyme factor Xa. The invention also relates to processes for the preparation of the compounds of formula (I), to methods of inhibiting factor Xa activity and of inhibiting blood clotting, to use of the compounds of formula (I) in the treatment and prophylaxis of diseases which can be cured or prevented by the inhibition of factor Xa activity such as thromboembolic diseases, and to the use of the compounds of formula (I) in the preparation of medicaments to be applied in such diseases. The invention further relates to compositions containing a compound of formula (I) in admixture or otherwise in association with an inert carrier, in particular pharmaceutical compositions containing a compound of formula (I) together with pharmaceutically acceptable carrier substances and/or auxiliary substances.

  本发明涉及抑制血液凝块蛋白，更具体地说是与式(I)中的吲哚衍生物有关，其中R1a、R1b、R1c、R1d、R2、R3、R4和A的定义如索赔中所示。式(I)化合物是血液凝块酶因子Xa的抑制剂。本发明还涉及制备式(I)化合物的方法，抑制因子Xa活性和血液凝块形成的方法，以及利用式(I)化合物在治疗和预防可通过抑制因子Xa活性治愈或预防的疾病中的用途，如血栓栓塞性疾病，并且利用式(I)化合物制备用于治疗此类疾病的药物。本发明还涉及含有式(I)化合物的组合物，与惰性载体混合或以其他方式与之结合，特别是含有式(I)化合物的药物组合物，连同药用载体物质和/或辅助物质。
• Compounds
  申请人：AstraZeneca Canada Inc.

  公开号：US06777561B1

  公开（公告）日：2004-08-17

  Compounds of general formula I are disclosed and claimed in the present application, as well as their pharmaceutically acceptable salts, pharmaceutical compositions comprising the novel compounds and their use in therapy, in particular in the management of pain.

  本申请中披露和声明了通式I的化合物，以及它们的药用盐，包含这些新化合物的药物组合物以及它们在治疗中的使用，特别是在疼痛管理方面。
• [EN] DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS<br/>[FR] DÉRIVÉS DE DIHYDROFUROPYRIDINE UTILISÉS COMME INHIBITEURS DE LA RHO KINASE
  申请人：CHIESI FARM SPA

  公开号：WO2022128853A1

  公开（公告）日：2022-06-23

  The invention relates to compounds of formula (I) inhibiting Rho Kinase that are dihydrofuropyridine derivatives, methods of preparing such compounds, pharmaceutical compositions containing them and therapeutic use thereof. Particularly the compounds of the invention may be useful in the treatment of many disorders associated with ROCK enzymes mechanisms, such as pulmonary diseases including asthma, chronic obstructive pulmonary disease (COPD), idiopathic pulmonary fibrosis (IPF) and pulmonary arterial hypertension (PAH).

  该发明涉及公式（I）的化合物，这些化合物是二氢呋喃吡啶衍生物，能够抑制Rho激酶，制备这些化合物的方法，包含它们的药物组合物以及其治疗用途。特别是，该发明的化合物可能在治疗许多与ROCK酶机制相关的疾病方面有用，例如肺部疾病，包括哮喘、慢性阻塞性肺疾病（COPD）、特发性肺纤维化（IPF）和肺动脉高压（PAH）。
• Bisbenzamidine and Bisbenzguanidine Ureas Act as Antibacterial Agents against <i>Pseudomonas aeruginosa</i>
  作者：Casey N. Kellogg、Bryce A. Pugh、Isaak M. Starr、Dhruvi J. Parmar、A'Zane D. Troxler、Amanda L. Wolfe

  DOI：10.1002/cmdc.202300496

  日期：2023.12.14

  Benzamidine and benzguanidine functionality have been found to increase both antibacterial and adjuvant activity of small molecules against Gram-negative pathogens. Herein, we examine the antibacterial activity of a series of dimeric small molecules with benzamidine, benzguanidine, dimethyl amine, and pyridine moieties against multidrug resistant Pseudomonas aeruginosa.

  已发现苯氮脒和苯并胍官能度可增加小分子对革兰氏阴性病原体的抗菌和佐剂活性。在此，我们检查了一系列二聚体小分子与苯扎脒、苯并胍、二甲基胺和吡啶部分对多重耐药铜绿假单胞菌的抗菌活性。