(3-bromo-4-methoxyphenyl)-methylidene(2,2-dimethoxyethyl)amine | 918492-64-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (3-bromo-4-methoxyphenyl)-methylidene(2,2-dimethoxyethyl)amine
• 英文别名: 1-(3-bromo-4-methoxyphenyl)-N-(2,2-dimethoxyethyl)methanimine
• CAS: 918492-64-5
• 化学式: C₁₂H₁₆BrNO₃
• 分子量: 302.168
• InChiKey: QIMXKICBIQQKER-UHFFFAOYSA-N

物化性质

• 沸点：
  346.9±42.0 °C(Predicted)
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  40
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (3-bromo-4-methoxyphenyl)-methylidene(2,2-dimethoxyethyl)amine 在 potassium acetate 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 反应 69.08h， 生成 6-methoxy-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline
  参考文献：
  名称：

  [EN] 2-(INDAZOL-5-YL)-6-(PIPERIDIN-4-YL)-1,7-NAPHTHYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS FOR SPLICING NUCLEIC ACIDS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES
  [FR] DÉRIVÉS DE 2-(INDAZOL-5-YL)-6-(PIPERIDIN-4-YL)-1,7-NAPHTHYRIDINE ET COMPOSÉS Y RELATIFS EN TANT QUE MODULATEURS POUR L'ÉPISSAGE D'ACIDES NUCLÉIQUES ET POUR LE TRAITEMENT DE MALADIES PROLIFÉRANTES

  摘要：

  本公开涉及公式(l-a)和公式(II)的化合物及其药物组合物。本公开还揭示了公式(I-a)和(II)的化合物及其组合物，用于调节核酸剪接的方法，例如，剪接预mRNA，以及用于治疗方法的化合物，例如： •增殖性疾病，如癌症、良性肿瘤或血管生成等， •神经系统疾病或障碍，如亨廷顿病等， •自身免疫性疾病或障碍、免疫缺陷性疾病或障碍、溶酶体贮积病或障碍、心血管疾病或障碍、代谢性疾病或障碍、呼吸系统疾病或障碍、肾脏疾病或障碍或传染性疾病。示例化合物包括2-(吲哚-5-基)-6-(哌啶-4-基)-1,7-萘啶衍生物和类似化合物。

  公开号：

  WO2022006550A1
• 作为产物：
  描述：

  3-溴-4-甲氧基苯甲醛 、 氨基乙醛缩二甲醇 以 甲苯 为溶剂， 反应 6.0h， 生成 (3-bromo-4-methoxyphenyl)-methylidene(2,2-dimethoxyethyl)amine
  参考文献：
  名称：

  蛋白质激酶C Iota抑制剂的基于片段的药物发现

  摘要：

  蛋白激酶C iota（PKC-1）是一种非典型激酶，与促进不同类型的癌症有关。片段文库的生化筛选已鉴定出多个命中，从中选择了基于氮杂吲哚的支架进行优化。在结构-活性关系的驱动下，并在分子模型的支持下，弱结合的片段被系统地生长为有效且选择性的针对PKC-1的抑制剂。

  DOI：

  10.1021/acs.jmedchem.8b00060

文献信息

• [EN] ARYLOXYACETYLINDOLES AND ANALOGS AS ANTIBIOTIC TOLERANCE INHIBITORS<br/>[FR] ARYLOXYACÉTYLINDOLES ET ANALOGUES EN TANT QU'INHIBITEURS DE TOLÉRANCE AUX ANTIBIOTIQUES
  申请人：SPERO THERAPEUTICS INC

  公开号：WO2016112088A1

  公开（公告）日：2016-07-14

  The disclosure provides compounds and pharmaceutical compositions of aryloxyacetylindoles compounds and analogs useful for treating chronic and acute bacterial infections. Certain of the compounds are compounds of general Formula (I) (I) or a pharmaceutically acceptable salt or prodrug thereof. Certain compounds of this disclosure are MvfR inhibitors. MvfR inhibitors reduce the formation of antibiotic tolerant bacterial strains and are useful for treating Gram-negative bacterial infections and reducing the virulence of Pseudomonas aeruginosa. Methods of treating bacterial infections in a subject, including Pseudomonas aeruginosa infections, are also provided by the disclosure.

  该披露提供了芳基氧乙酰基吲哚化合物及类似物的化合物和药物组合物，用于治疗慢性和急性细菌感染。其中某些化合物是一般式(I)（I）的化合物或其药用可接受的盐或前药。该披露的某些化合物是MvfR抑制剂。MvfR抑制剂减少抗生素耐药细菌菌株的形成，对治疗革兰氏阴性细菌感染和减少铜绿假单胞菌的毒力有用。该披露还提供了治疗受试者细菌感染的方法，包括铜绿假单胞菌感染。
• [EN] COMPOSITIONS FOR MODULATING SPLICING<br/>[FR] COMPOSITIONS POUR MODULER L'ÉPISSAGE
  申请人：SKYHAWK THERAPEUTICS INC

  公开号：WO2022031838A1

  公开（公告）日：2022-02-10

  Described herein are small molecule splicing modulator compounds that modulate splicing of mRNA, such as pre-mRNA, encoded by genes, and methods of use of the small molecule splicing modulator compounds for modulating splicing and treating diseases and conditions.

  本文描述了小分子剪接调节剂化合物，这些化合物调节由基因编码的mRNA（如前mRNA）的剪接，并提供了使用小分子剪接调节剂化合物调节剪接和治疗疾病和病况的方法。
• WO2007/240
  申请人：——

  公开号：——

  公开（公告）日：——
• Multisubstrate inhibitors of dopamine .beta.-hydroxylase. 2. Structure-activity relationships at the phenethylamine binding site
  作者：Lawrence I. Kruse、Carl Kaiser、Walter E. DeWolf、James S. Frazee、Stephen T. Ross、Joyce Wawro、Merrie Wise、Kathryn E. Flaim、John L. Sawyer

  DOI：10.1021/jm00386a008

  日期：1987.3

  1-Aralkylimidazole-2-thiones have been shown to be potent multisubstrate inhibitors of dopamine beta-hydroxylase (DBH; EC 1.14.17.1). In the present study, a series of 1-benzylimidazole-2-thiones was prepared to explore the effects of substitution in the benzyl ring on the inhibition of DBH. A detailed structure-activity relationship for in vitro activity was discovered and this was shown by a modified Hansch analysis to correlate (r = 0.91) with four key structural features of the benzyl ring: the presence of a hydroxyl at the 4-position, molar refractivity at the 3-, 4-, and 5-positions, inductive effects of the substituents at the 3-, 4-, and 5-positions, and pi-electron density. The affinity (Kis) of eight substituted inhibitors for DBH was shown to correlate (r = 0.75) with the affinity (KD) of comparably substituted tyramines for the ternary DBH-oxygen-tyramine complex. This correlate is used to support the hypothesis that binding of inhibitor to DBH occurs in a fashion that mimics the binding of tyramine substrates. The most potent inhibitors were selected for study in vivo in the spontaneously hypertensive rat model of hypertension. The changes in vascular dopamine and norepinephrine levels that resulted from oral administration of the inhibitors corresponded to the observed reduction in mean arterial blood pressure. A divergence between in vitro potency and in vivo efficacy upon oral dosing was noted and is suggested to result from an in vivo metabolic conjugation of the phenolic group of inhibitor.