5-溴-2-甲氧基-苯丙酸 | 82547-30-6

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 中文名称: 5-溴-2-甲氧基-苯丙酸
• 中文别名: 3-(5-溴-2-甲氧基苯基)丙酸
• 英文名称: 3-(5-bromo-2-methoxyphenyl)propanoic acid
• 英文别名: 3-(5-bromo-2-methoxyphenyl)propionic acid
• CAS: 82547-30-6
• 化学式: C₁₀H₁₁BrO₃
• mdl: MFCD09258907
• 分子量: 259.1
• InChiKey: RCLIOLQUIYTUPY-UHFFFAOYSA-N

物化性质

• 熔点：
  114-116℃

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2918990090
• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  5-溴-2-甲氧基-苯丙酸 在 三氯化铝 、 硝基苯 作用下， 生成 6-溴苯并二氢吡喃-2-酮
  参考文献：
  名称：

  A Synthesis for 4-Bromo-7-methoxyhydrindene

  摘要：

  DOI：

  10.1021/ja01178a077
• 作为产物：
  描述：

  5-溴-2-甲氧基苯甲醛 在 水 、 magnesium 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 甲苯 为溶剂， 反应 73.5h， 生成 5-溴-2-甲氧基-苯丙酸
  参考文献：
  名称：

  新型Meta-linked苯甘氨酸大环FVIIa抑制剂的设计与合成

  摘要：

  已经设计了两种新颖的基于间联苯基苯甘氨酸的大环FVIIa抑制剂系列，以改善啮齿动物的代谢稳定性和前体对联苯基苯甘氨酸大环化合物所观察到的PK。通过基于迭代结构的设计和优化，TF / FVIIa K i被提高到亚纳摩尔水平，具有良好的凝结活性，代谢稳定性和通透性。

  DOI：

  10.1021/acsmedchemlett.6b00375

文献信息

• [EN] TRIAZOLONE COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS DE TRIAZOLONE ET LEURS UTILISATIONS
  申请人：INCEPTION 2 INC

  公开号：WO2013134562A1

  公开（公告）日：2013-09-12

  The invention disclosed herein is directed to compounds of Formula (I) and pharmaceutically acceptable salts thereof, which are useful in the treatment of prostate, breast, colon, pancreatic, human chronic lymphocytic leukemia, melanoma and other cancers. The invention also comprises pharmaceutical compositions comprising a therapeutically effective amount of compound of Formula (I), or a pharmaceutically acceptable salt thereof. The invention disclosed herein is also directed to methods of treating prostate, breast, ovarian, liver, kidney, colon, pancreatic, human chronic lymphocytic leukemia, melanoma and other cancers. The invention disclosed herein is further directed to methods of treating prostate, breast, colon, pancreatic, chronic lymphocytic leukemia, melanoma and other cancers comprising administration of a of a therapeutically effective amount of a selective PPARα antagonist. The compounds and pharmaceutical compositions of the invention are also useful in the treatment of viral infections, such as HCV infections and HIV infections. The invention disclosed herein is also directed to a methods of preventing the onset of and/or recurrence of acute and chronic myeloid leukemia, as well as other cancers, comprising administration of a of a therapeutically effective amount of a selective PPARα antagonist.

  本发明涉及的化合物属于式(I)及其药学上可接受的盐，可用于治疗前列腺、乳腺、结肠、胰腺、人类慢性淋巴细胞白血病、黑色素瘤和其他癌症。该发明还包括含有式(I)化合物的治疗有效量或其药学上可接受的盐的药物组合物。本发明还涉及治疗前列腺、乳腺、卵巢、肝脏、肾脏、结肠、胰腺、人类慢性淋巴细胞白血病、黑色素瘤和其他癌症的方法。本发明还涉及治疗前列腺、乳腺、结肠、胰腺、慢性淋巴细胞白血病、黑色素瘤和其他癌症的方法，包括给予选择性PPARα拮抗剂的治疗有效量。本发明的化合物和药物组合物还可用于治疗病毒感染，如HCV感染和HIV感染。本发明还涉及一种预防急性和慢性骨髓性白血病以及其他癌症发作和/或复发的方法，包括给予选择性PPARα拮抗剂的治疗有效量。
• Design and Synthesis of Novel Meta-Linked Phenylglycine Macrocyclic FVIIa Inhibitors
  作者：Jeremy M. Richter、Daniel L. Cheney、J. Alex Bates、Anzhi Wei、Joseph M. Luettgen、Alan R. Rendina、Timothy M. Harper、Rangaraj Narayanan、Pancras C. Wong、Dietmar Seiffert、Ruth R. Wexler、E. Scott Priestley

  DOI：10.1021/acsmedchemlett.6b00375

  日期：2017.1.12

  Two novel series of meta-linked phenylglycine-based macrocyclic FVIIa inhibitors have been designed to improve the rodent metabolic stability and PK observed with the precursor para-linked phenylglycine macrocycles. Through iterative structure-based design and optimization, the TF/FVIIa Ki was improved to subnanomolar levels with good clotting activity, metabolic stability, and permeability.

  已经设计了两种新颖的基于间联苯基苯甘氨酸的大环FVIIa抑制剂系列，以改善啮齿动物的代谢稳定性和前体对联苯基苯甘氨酸大环化合物所观察到的PK。通过基于迭代结构的设计和优化，TF / FVIIa K i被提高到亚纳摩尔水平，具有良好的凝结活性，代谢稳定性和通透性。
• Plasma Levels of a Novel Antidysrhythmic Agent, Meobentine Sulfate, in Humans as Determined by Radioimmunoassay
  作者：James T. Warren、Geoffrey G. Coker、Richard M. Welch、Arthur S.E. Fowle、John W.A. Findlay

  DOI：10.1002/jps.2600710615

  日期：1982.6

  cross-reaction in radioimmunoassay procedures employing either tritiated or radioiodinated radioligands. The radioimmunoassay using[125I]meobentine was capable of detecting less than 0.4 ng/ml (40-pg mass) of meobentine. This assay was used to demonstrate the absorption of meobentine in humans after oral administration and also permitted studies of meobentine sulfate disposition in human plasma following two

  描述了一种用于定量硫酸美宾汀的放射免疫分析方法，硫酸美宾汀是一种生物流体中的新型抗心律失常和抗原纤化剂。响应于用牛血清白蛋白和甲氧基类似物与邻位甲氧基的丙酸侧链的结合物进行免疫，在兔中产生抗血清。这些抗血清对N-和O-去甲基美宾汀代谢物的亲和力很低，在使用tri化或放射性碘标记的放射性配体的放射免疫分析方法中，交叉反应的结合率不到5％。使用[125I]美宾汀的放射免疫分析能够检测到少于0.4 ng / ml（40 pg质量）的美宾汀。该试验用于证明口服后人体中美宾汀的吸收，并且还允许研究两次之后人血浆中硫酸美宾汀的处置（2。5和5 mg / kg）口服剂量。在两种情况下，血浆中美宾汀的平均峰值浓度均在给药后3小时出现，在2.5和5 mg / kg剂量后分别为230和451 ng / ml。所有治疗后的平均终末半衰期约为12小时。
• TRIAZOLONE COMPOUNDS AND USES THEREOF
  申请人：INCEPTION 2, INC.

  公开号：US20150080412A1

  公开（公告）日：2015-03-19

  The invention disclosed herein is directed to compounds of Formula (I) and pharmaceutically acceptable salts thereof, which are useful in the treatment of prostate, breast, colon, pancreatic, human chronic lymphocytic leukemia, melanoma and other cancers. The invention also comprises pharmaceutical compositions comprising a therapeutically effective amount of compound of Formula (I), or a pharmaceutically acceptable salt thereof. The invention disclosed herein is also directed to methods of treating prostate, breast, ovarian, liver, kidney, colon, pancreatic, human chronic lymphocytic leukemia, melanoma and other cancers. The invention disclosed herein is further directed to methods of treating prostate, breast, colon, pancreatic, chronic lymphocytic leukemia, melanoma and other cancers comprising administration of a of a therapeutically effective amount of a selective PPARα antagonist. The compounds and pharmaceutical compositions of the invention are also useful in the treatment of viral infections, such as HCV infections and HIV infections. The invention disclosed herein is also directed to a methods of preventing the onset of and/or recurrence of acute and chronic myeloid leukemia, as well as other cancers, comprising administration of a of a therapeutically effective amount of a selective PPARα antagonist.

  本发明涉及公式(I)化合物及其药学上可接受的盐，用于治疗前列腺、乳腺、结肠、胰腺、人类慢性淋巴细胞白血病、黑色素瘤和其他癌症。本发明还包括含有公式(I)化合物或其药学上可接受的盐的治疗有效量的药物组合物。本发明还涉及治疗前列腺、乳腺、卵巢、肝脏、肾脏、结肠、胰腺、人类慢性淋巴细胞白血病、黑色素瘤和其他癌症的方法。本发明还涉及通过给予选择性PPARα拮抗剂的治疗有效量来治疗前列腺、乳腺、结肠、胰腺、慢性淋巴细胞白血病、黑色素瘤和其他癌症的方法。本发明的化合物和药物组合物还可用于治疗病毒感染，如HCV感染和HIV感染。本发明还涉及通过给予选择性PPARα拮抗剂的治疗有效量来预防急性和慢性骨髓性白血病以及其他癌症的发生和/或复发的方法。
• MACROCYCLIC FACTOR VIIA INHIBITORS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20160115159A1

  公开（公告）日：2016-04-28

  The present invention provides compounds of Formula (I) as defined in the specification and compositions comprising any of such novel compounds. These compounds are Factor VIIa inhibitors which may be used as medicaments.

  本发明提供了式（I）所定义的化合物和包含任何此类新型化合物的组合物。这些化合物是第VIIa因子抑制剂，可用作药物。