3-溴-5-甲氧基吡啶-1-氧化物 | 78156-39-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-溴-5-甲氧基吡啶-1-氧化物
• 英文名称: 3-bromo-5-methoxypyridine 1-oxide
• 英文别名: 3-bromo-5-methoxypyridine N-oxide；5-bromo-3-methoxy-pyridine oxide；5-bromo-3-methoxypyridine oxide；3-bromo-5-methoxy-pyridine-1-oxide；3-Brom-5-methoxy-pyridin-1-oxid；3-bromo-5-methoxy-1-oxidopyridin-1-ium
• CAS: 78156-39-5
• 化学式: C₆H₆BrNO₂
• 分子量: 204.023
• InChiKey: KHOPHTRZCOJGRR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  34.7
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090
• 储存条件：
  保存在2至8℃的环境中，需密封并保持干燥。

反应信息

• 作为反应物：
  描述：

  3-溴-5-甲氧基吡啶-1-氧化物 在 ammonium hydroxide 、 copper(II) sulfate 作用下， 反应 5.0h， 以95%的产率得到5-甲氧基-3-氨基吡啶-1-氧化物
  参考文献：
  名称：

  Tamura, Yasumitsu; Fujita, Masanobu; Chen, Ling Ching, Heterocycles, 1981, vol. 15, # 2, p. 871 - 874

  摘要：

  DOI：
• 作为产物：
  描述：

  3,5-二溴吡啶 在 甲醇 、 氯仿 、 sodium methylate 、 铜 作用下， 生成 3-溴-5-甲氧基吡啶-1-氧化物
  参考文献：
  名称：

  den Hertog et al., Recueil des Travaux Chimiques des Pays-Bas, 1955, vol. 74, p. 1171,1174

  摘要：

  DOI：

文献信息

• [EN] NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS<br/>[FR] NOUVEAUX COMPOSÉS UTILISÉS COMME INHIBITEURS DE LA KINASE RÉARRANGÉE AU COURS DE LA TRANSFECTION (RET)
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2016037578A1

  公开（公告）日：2016-03-17

  This invention relates to novel compounds which are inhibitors of the Rearranged during Transfection (RET) kinase, to pharmaceutical compositions containing them, to processes for their preparation, and to their use in therapy, alone or in combination, for the normalization of gastrointestinal sensitivity, motility and/or secretion and/or abdominal disorders or diseases and/or treatment related to diseases related to RET dysfunction or where modulation of RET activity may have therapeutic benefit including but not limited to all classifications of irritable bowel syndrome (IBS) including diarrhea-predominant, constipation-predominant or alternating stool pattern, functional bloating, functional constipation, functional diarrhea, unspecified functional bowel disorder, functional abdominal pain syndrome, chronic idiopathic constipation, functional esophageal disorders, functional gastroduodenal disorders, functional anorectal pain, inflammatory bowel disease, proliferative diseases such as non-small cell lung cancer, hepatocellular carcinoma, colorectal cancer, medullary thyroid cancer, follicular thyroid cancer, anaplastic thyroid cancer, papillary thyroid cancer, brain tumors, peritoneal cavity cancer, solid tumors, other lung cancer, head and neck cancer, gliomas, neuroblastomas, Von Hippel-Lindau Syndrome and kidney tumors, breast cancer, fallopian tube cancer, ovarian cancer, transitional cell cancer, prostate cancer, cancer of the esophagus and gastroesophageal junction, biliary cancer, adenocarcinoma, and any malignancy with increased RET kinase activity.

  这项发明涉及一种新型化合物，这些化合物是重排转位过程中的抑制剂（RET）激酶，包含它们的药物组合物，它们的制备方法，以及它们在治疗中的使用，单独或结合使用，用于规范胃肠敏感性、蠕动和/或分泌以及/或腹部紊乱或疾病和/或与RET功能障碍相关的疾病或调节RET活性可能具有治疗益处的治疗，包括但不限于所有分类的肠易激综合征（IBS），包括以腹泻为主、以便秘为主或交替排便模式、功能性腹胀、功能性便秘、功能性腹泻、未特指的功能性肠道障碍、功能性腹痛综合征、慢性特发性便秘、功能性食管障碍、功能性胃十二指肠障碍、功能性肛门疼痛、炎症性肠病、非小细胞肺癌、肝细胞癌、结肠癌、髓样甲状腺癌、滤泡性甲状腺癌、间变性甲状腺癌、乳头状甲状腺癌、脑肿瘤、腹腔癌、实体肿瘤、其他肺癌、头颈癌、神经胶质瘤、神经母细胞瘤、冯·希普-林道氏综合征和肾肿瘤、乳腺癌、输卵管癌、卵巢癌、移行细胞癌、前列腺癌、食管和食管胃交界处癌症、胆道癌、腺癌，以及任何具有增加RET激酶活性的恶性肿瘤。
• An efficient large-scale synthesis of alkyl 5-hydroxy-pyridin- and pyrimidin-2-yl acetate
  作者：Rémy Morgentin、Frédéric Jung、Maryannick Lamorlette、Mickaël Maudet、Morgan Ménard、Patrick Plé、Georges Pasquet、Fabrice Renaud

  DOI：10.1016/j.tet.2008.11.064

  日期：2009.1

  of methyl 2-(5-hydroxy-3-methoxypyridin-2-yl)acetate and alkyl 2-(5-hydroxypyrimidin-2-yl)acetate is described. Methodology for an efficient access to 5-hydroxy-pyridin- and pyrimidin-2-yl acetate cores has been developed. Based on the difference in halogen reactivity, 5-bromo-2-chloropyridine and its pyrimidine analogue were functionalized judiciously by SNAr and palladium-catalyzed reactions. The

  描述了2-（5-羟基-3-甲氧基吡啶-2-基）乙酸甲酯和2-（5-羟基嘧啶-2-基）乙酸烷基酯的合成。已经开发出有效获得5-羟基吡啶和乙酸嘧啶-2-基乙酸盐核心的方法。根据卤素反应性的差异，通过S N Ar和钯催化的反应将5-溴-2-氯吡啶及其嘧啶类似物适当地官能化。概述的策略提供了适用于这些化合物大规模合成的高产途径，并为潜在快速获得其他杂环类似物铺平了道路。
• THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES
  申请人：Lavoie Edmond J.

  公开号：US20150232454A1

  公开（公告）日：2015-08-20

  The invention provides compounds of formula (I): and salts and prodrugs thereof wherein R4, X1 and X2 have any of the meanings defined in the specification, as well as pharmaceutical compositions comprising the compounds or salts and methods for their use in therapy. The compounds have useful antiviral properties.

  本发明提供公式(I)的化合物，以及其盐和前药，其中R4、X1和X2具有规范中定义的任何含义，以及包含该化合物或盐的药物组合物和在治疗中使用它们的方法。这些化合物具有有用的抗病毒性能。
• Compounds as rearranged during transfection (RET) inhibitors
  申请人：GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED

  公开号：US10294236B2

  公开（公告）日：2019-05-21

  This invention relates to novel compounds which are inhibitors of the Rearranged during Transfection (RET) kinase, to pharmaceutical compositions containing them, to processes for their preparation, and to their use in therapy, alone or in combination, for the normalization of gastrointestinal sensitivity, motility and/or secretion and/or abdominal disorders or diseases and/or treatment related to diseases related to RET dysfunction or where modulation of RET activity may have therapeutic benefit including but not limited to all classifications of irritable bowel syndrome (IBS) including diarrhea-predominant, constipation-predominant or alternating stool pattern, functional bloating, functional constipation, functional diarrhea, unspecified functional bowel disorder, functional abdominal pain syndrome, chronic idiopathic constipation, functional esophageal disorders, functional gastroduodenal disorders, functional anorectal pain, inflammatory bowel disease, proliferative diseases such as non-small cell lung cancer, hepatocellular carcinoma, colorectal cancer, medullary thyroid cancer, follicular thyroid cancer, anaplastic thyroid cancer, papillary thyroid cancer, brain tumors, peritoneal cavity cancer, solid tumors, other lung cancer, head and neck cancer, gliomas, neuroblastomas, Von Hippel-Lindau Syndrome and kidney tumors, breast cancer, fallopian tube cancer, ovarian cancer, transitional cell cancer, prostate cancer, cancer of the esophagus and gastroesophageal junction, biliary cancer, adenocarcinoma, and any malignancy with increased RET kinase activity.

  本发明涉及作为转染过程中重排（RET）激酶抑制剂的新型化合物、含有这些化合物的药物组合物、制备这些化合物的工艺，以及这些化合物在治疗中的用途（单独使用或联合使用），用于使胃肠道敏感性正常化、肠易激综合征（IBS）的所有分类，包括腹泻为主、便秘为主或交替大便模式、功能性腹胀、功能性便秘、功能性腹泻、不明功能性肠紊乱、功能性腹痛综合征、慢性特发性便秘、功能性食道疾病、功能性胃十二指肠疾病、功能性肛门直肠痛、炎症性肠病、增殖性疾病，如非小细胞肺癌、肝细胞癌、结肠直肠癌、甲状腺髓样细胞癌、滤泡性甲状腺癌、无细胞甲状腺癌、甲状腺乳头状癌、脑肿瘤、腹腔癌、实体瘤、其他肺癌、头颈部肿瘤、胶质瘤、神经母细胞瘤、冯-希佩尔-林道综合征和肾肿瘤、乳腺癌、输卵管癌、卵巢癌、过渡性细胞癌、前列腺癌、食道癌和胃食道交界处癌、胆道癌、腺癌以及任何 RET 激酶活性增高的恶性肿瘤。
• EP2426135
  申请人：——

  公开号：——

  公开（公告）日：——