methyl 3-benzyl-2-hydroxybenzoate | 351002-02-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methyl 3-benzyl-2-hydroxybenzoate
• 英文别名: methyl 3-benzylsalicylate；methyl 3-(phenylmethyl)salicylate
• CAS: 351002-02-3
• 化学式: C₁₅H₁₄O₃
• mdl: MFCD10037689
• 分子量: 242.274
• InChiKey: YBLIRUCJONLCLF-UHFFFAOYSA-N

物化性质

• 沸点：
  359.6±30.0 °C(Predicted)
• 密度：
  1.180±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 3-benzyl-2-hydroxybenzoate 在 sodium hydroxide 、 硫酸 、 溶剂黄146 作用下， 以 1,4-二氧六环 为溶剂， 生成 3-Benzyl-5-[(3-benzyl-5-carboxy-4-hydroxyphenyl)methyl]-2-hydroxybenzoic acid
  参考文献：
  名称：

  Methylenedisalicylic acid derivatives: New PTP1B inhibitors that confer resistance to diet-induced obesity

  摘要：

  Methylenedisalicylic acid derivatives were synthesized and their inhibitory activities against protein tyrosine phosphalases (PTPases) examined. Two of the compounds, 8 and 9, showed K-i values of 9.4 and 6.3 mu M against PTP I B, 4- and 7-fold lower values compared to those against TC-PTP. They were reversible and slow-binding inhibitors against PTP I B. When compound 8 was fed to a mouse model, the weight gain and adipocyte fat storage induced by a high-fat-diet were significantly suppressed. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.02.069
• 作为产物：
  描述：

  methyl 3-benzyl-2-methoxybenzoate 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 生成 methyl 3-benzyl-2-hydroxybenzoate
  参考文献：
  名称：

  单和二水杨酸衍生物：PTP1B抑制剂可作为潜在的抗肥胖药。

  摘要：

  合成了一系列包含一个或两个水杨酸部分的化合物，并研究了其抑制PTP1B磷酸水解酶活性的功效。一些亚甲基二水杨酸衍生物是PTP1B的有效抑制剂。在这些衍生物中，3c对TC-PTP表现出约14倍的选择性，并在小鼠模型中测试了该化合物预防饮食引起的肥胖的功效。它有效地抑制了体重和脂肪的增加，而没有任何明显的毒性作用。该化合物还可以防止血浆甘油三酸酯，胆固醇和非酯化脂肪酸浓度的增加。因此，将其治疗潜力扩展到其他相关的代谢性疾病，例如高脂血症和高胆固醇血症。

  DOI：

  10.1016/j.bmc.2007.07.010

文献信息

• Therapeutic morpholino-substituted compounds
  申请人：——

  公开号：US20030216389A1

  公开（公告）日：2003-11-20

  Morpholino-substituted pyridopyrimidine, quinolone, and benzopyranone derivatives inhibit phosphoinositide (PI) 3-kinase, an enzyme that regulates platelet-adhesion processes. As a consequence, the compounds in question have anti-thrombotic activity, as well as other pharmaceutical properties. The compounds claimed are represented by formula (I), (II) and (III). PI 3-kinase generates 3-phosphorylated PI second messengers which stimulate platelet adhesion under blood-flow conditions. Because platelet adhesion is a necessary step in the formation of a thrombus, inhibition by these compounds of PI 3-kinase under such conditions inhibits or prevents thrombus formation. The compounds are useful in treating PI 3-kinase-dependent conditions including cardiovascular diseases such as coronary artery occlusion, stroke, acute coronary syndrome, acute myocardial infarction, vascular restenosis, atherosclerosis, and unstable angina; respiratory diseases such as asthma, chronic obstructive pulmonary diseases (COPD), and bronchitis; inflammatory disorders; neoplasms including cancers such as glioma, prostate cancer, small cell lung cancer, and breast cancer, and diseases linked to disordered white blood cell function, such as autoimmune and inflammatory diseases. 1

  Morpholino取代的吡啶并嘧啶、喹诺酮和苯并吡喃酮衍生物抑制磷脂酰肌醇(PI)3-激酶，这是一种调节血小板粘附过程的酶。因此，这些化合物具有抗血栓活性，以及其他药理特性。所声称的化合物由式(I)、(II)和(III)表示。PI3-激酶产生3-磷酸化PI第二信使，在血液流动条件下刺激血小板粘附。由于血小板粘附是血栓形成的一个必要步骤，这些化合物在这些条件下抑制PI3-激酶，从而抑制或防止血栓形成。这些化合物可用于治疗依赖PI3-激酶的疾病，包括心血管疾病，如冠状动脉闭塞、中风、急性冠状动脉综合征、急性心肌梗死、血管再狭窄、动脉粥样硬化和不稳定型心绞痛；呼吸系统疾病，如哮喘、慢性阻塞性肺病(COPD)和支气管炎；炎症性疾病；肿瘤，包括胶质瘤、前列腺癌、小细胞肺癌和乳腺癌等癌症，以及与白细胞功能紊乱相关的疾病，如自身免疫和炎症性疾病。
• Efficient Synthesis of Salicylates by Catalytic [3 + 3] Cyclizations of 1,3-Bis(silyl enol ethers) with 1,1,3,3-Tetramethoxypropane
  作者：Muhammad Sher、T. H. Tam Dang、Zafar Ahmed、Muhammad A. Rashid、Christine Fischer、Peter Langer

  DOI：10.1021/jo070974a

  日期：2007.8.1

  Salicylic acid derivatives were prepared by Me3SiOTf-catalyzed [3 + 3] cyclization of 1,3-bis(silyl enol ethers) with 1,1,3,3-tetramethoxypropane.

  水杨酸衍生物是通过Me 3 SiOTf与1,1,3,3-四甲氧基丙烷的1,3-双（甲硅烷基烯醇醚）环化[3 + 3]环化而制得的。
• Therapeutic Morpholino-Substituted Compounds
  申请人：Robertson Alan D.

  公开号：US20080206312A1

  公开（公告）日：2008-08-28

  Morpholino-substituted pyridopyrimidine, quinolone, and benzopyranone derivatives inhibit phosphoinositide (PI) 3-kinase, an enzyme that regulates platelet-adhesion processes. As a consequence, the compounds in question have anti-thrombotic activity, as well as other pharmaceutical properties. The compounds claimed are represented by formula (I), (II) and (III). PI 3-kinase generates 3-phosphorylated PI second messengers which stimulate platelet adhesion under blood-flow conditions. Because platelet adhesion is a necessary step in the formation of a thrombus, inhibition by these compounds of PI 3-kinase under such conditions inhibits or prevents thrombus formation. The compounds are useful in treating PI 3-kinase-dependent conditions including cardiovascular diseases such as coronary artery occlusion, stroke, acute coronary syndrome, acute myocardial infarction, vascular restenosis, atherosclerosis, and unstable angina; respiratory diseases such as asthma, chronic obstructive pulmonary diseases (COPD), and bronchitis; inflammatory disorders; neoplasms including cancers such as glioma, prostate cancer, small cell lung cancer, and breast cancer; and diseases linked to disordered white blood cell function, such as autoimmune and inflammatory diseases.

  Morpholino取代的吡啶并[3,4-d]吡嗪、喹诺酮和苯并吡喃衍生物抑制磷脂酰肌醇（PI）3-激酶，一种调节血小板粘附过程的酶。因此，所述化合物具有抗血栓活性以及其他药物性质。所要求的化合物由公式（I）、（II）和（III）表示。PI 3-激酶产生3-磷酸化PI第二信使，在血流条件下刺激血小板粘附。由于血小板粘附是形成血栓的必要步骤，这些化合物在这种条件下抑制PI 3-激酶会抑制或预防血栓形成。这些化合物可用于治疗PI 3-激酶依赖性疾病，包括心血管疾病，如冠状动脉闭塞、中风、急性冠状动脉综合症、急性心肌梗死、血管再狭窄、动脉粥样硬化和不稳定性心绞痛；呼吸系统疾病，如哮喘、慢性阻塞性肺疾病（COPD）和支气管炎；炎症性疾病；肿瘤，包括胶质瘤、前列腺癌、小细胞肺癌和乳腺癌等癌症；以及与白细胞功能紊乱有关的疾病，如自身免疫性和炎症性疾病。
• Tobacco product labeling system
  申请人：Reich Susan

  公开号：US20060237024A1

  公开（公告）日：2006-10-26

  The disclosed invention relates to visual content indicators of a tobacco product. More specifically, the invention includes labeling systems that provide at least one visual indicator of a tobacco product, methods for using the systems, and tobacco products that display one or more visual indicators of content. The present invention generally relates to tobacco products, which have a reduced amount of nicotine and tobacco specific nitrosamines (TSNAs), and contain one or more nicotine substitutes. The use of these tobacco products to reduce the exposure of an individual to nicotine, as well as, facilitating tobacco-use cessation is disclosed.

  本发明涉及烟草制品的视觉含量指示器。更具体地说，本发明包括提供至少一种烟草制品视觉指标的标签系统、使用这些系统的方法以及显示一种或多种视觉含量指标的烟草制品。本发明一般涉及烟草制品，其尼古丁和烟草特异性亚硝胺（TSNAs）含量降低，并含有一种或多种尼古丁替代物。本发明公开了使用这些烟草制品来减少个人接触尼古丁的机会，以及促进戒烟。
• [EN] FLAVOR COMPOSITION AND ELECTRONIC CIGARETTE LIQUID CONTAINING FLAVOR COMPOSITION<br/>[FR] COMPOSITION D'ARÔME ET LIQUIDE DE CIGARETTE ÉLECTRONIQUE CONTENANT LA COMPOSITION D'ARÔME<br/>[ZH] 风味组合物及包含所述风味组合物的电子烟液
  申请人：SHENZHEN RELX TECH CO LTD

  公开号：WO2021128347A1

  公开（公告）日：2021-07-01

  一种风味组合物及包含所述风味组合物的电子烟液。一些实施例的所述风味组合物包含以下重量份的物质：25至65份的苯甲醛、15至40份的γ-癸内酯、1至20份的癸酸乙酯、1至15份的桃醛、1至15份的异戊醇、0.1至10份的巴豆酸乙酯(反式-2-丁烯酸乙酯)及0.1至10份的γ-辛内酯。电子烟液通过其风味组合物能够使使用者在吸取时产生杏桃酒风味的口感，且该电子烟液能够形成气味均匀且浓郁的气雾，有效提升使用者体验。