2-(4-fluoro-3-methoxy-phenyl)-2-methoxy-acetic acid

• 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: 2-(4-fluoro-3-methoxy-phenyl)-2-methoxy-acetic acid
• 英文别名: 2-(4-Fluoro-3-methoxyphenyl)-2-methoxyacetic acid；2-(4-fluoro-3-methoxyphenyl)-2-methoxyacetic acid
• 化学式: C₁₀H₁₁FO₄
• 分子量: 214.193
• InChiKey: QHRHBSMXGXTKKG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  15
• 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：
  55.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N'-[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]-1,3,4-thiadiazole-2,5-diamine 、 2-(4-fluoro-3-methoxy-phenyl)-2-methoxy-acetic acid 在 O-(7-azabenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以33%的产率得到(2S)-2-(4-fluoro-3-methoxy-phenyl)-2-methoxy-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide
  参考文献：
  名称：

  [EN] 1, 3, 4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER
  [FR] COMPOSÉS DE 1,3,4-THIADIAZOLE ET LEUR UTILISATION DANS LE TRAITEMENT DU CANCER

  摘要：

  本规范涉及到式（I）的化合物及其药用盐，其中Q、R、R1和R2具有本文中定义的任何含义。本规范还涉及使用这些化合物和其盐治疗或预防GLS1介导的疾病，包括癌症。本规范还涉及到式（I）的化合物的晶型形式及其药用盐；包含这些化合物和盐的药物组合物；包括这些化合物和盐的试剂盒；制造这些化合物和盐的方法；在制造这些化合物和盐中有用的中间体；以及使用这些化合物和盐治疗GLS1激酶介导的疾病，包括癌症的方法。

  公开号：

  WO2015181539A1
• 作为产物：
  描述：

  甲醇 、 三溴甲烷 、 3-甲氧基-4-氟苯甲醛 在 potassium hydroxide 作用下， 反应 1.0h， 以47%的产率得到2-(4-fluoro-3-methoxy-phenyl)-2-methoxy-acetic acid
  参考文献：
  名称：

  1,3,4-Thiadiazole Compounds and Their Use in Treating Cancer

  摘要：

  化合物式（I）的复合物：或其药学上可接受的盐，其中：Q可以是5-甲基吡嗪-3-基，5-氯吡嗪-3-基，6-甲基吡嗪-3-基或6-氟吡嗪-3-基；R可以是氢，氟或甲氧基；R1可以是氢，甲氧基，二氟甲氧基或三氟甲氧基；R2可以是甲基或乙基。化合物式（I）的复合物可以抑制谷氨酰胺酶，例如GLS1。

  公开号：

  US20170152254A1

文献信息

• 1,3,4-thiadiazole compounds and their use in treating cancer
  申请人：AstraZeneca AB

  公开号：US10040788B2

  公开（公告）日：2018-08-07

  The specification relates to compounds of Formula (I), and pharmaceutically acceptable salts thereof, where Q, R, R1 and R2 have any of the meanings defined herein. The specification also relates to the use of such compounds and salts thereof to treat or prevent GLS1 mediated disease, including cancer. The specification further relates to crystalline forms of compounds of Formula (I) and pharmaceutically acceptable salts thereof; pharmaceutical compositions comprising such compounds and salts; kits comprising such compounds and salts; methods of manufacture of such compounds and salts; intermediates useful in the manufacture of such compounds and salts; and to methods of treating GLS1 kinase mediated disease, including cancer, using such compounds and salts.

  本说明书涉及式（I）化合物及其药学上可接受的盐类，其中 Q、R、R1 和 R2 具有本文定义的任何含义。本说明书还涉及使用此类化合物及其盐类治疗或预防 GLS1 介导的疾病，包括癌症。本说明书进一步涉及式(I)化合物的结晶形式及其药学上可接受的盐；包含此类化合物和盐的药物组合物；包含此类化合物和盐的试剂盒；制造此类化合物和盐的方法；制造此类化合物和盐有用的中间体；以及使用此类化合物和盐治疗GLS1激酶介导的疾病（包括癌症）的方法。
• 1, 3, 4-thiadiazole compounds and their use in treating cancer
  申请人：AstraZeneca AB

  公开号：US10294221B2

  公开（公告）日：2019-05-21

  The specification relates to compounds of Formula (I): and pharmaceutically acceptable salts thereof, where Q, R, R1 and R2 have any of the meanings defined herein. The specification also relates to the use of such compounds and salts thereof to treat or prevent GLS1 mediated disease, including cancer. The specification further relates to crystalline forms of compounds of Formula (I) and pharmaceutically acceptable salts thereof; pharmaceutical compositions comprising such compounds and salts; kits comprising such compounds and salts; methods of manufacture of such compounds and salts; intermediates useful in the manufacture of such compounds and salts; and to methods of treating GLS1 kinase mediated disease, including cancer, using such compounds and salts.

  本说明书涉及式 (I) 化合物： 及其药学上可接受的盐类，其中 Q、R、R1 和 R2 具有本文定义的任何含义。本说明书还涉及使用此类化合物及其盐类治疗或预防 GLS1 介导的疾病，包括癌症。本说明书进一步涉及式(I)化合物的结晶形式及其药学上可接受的盐；包含此类化合物和盐的药物组合物；包含此类化合物和盐的试剂盒；制造此类化合物和盐的方法；制造此类化合物和盐有用的中间体；以及使用此类化合物和盐治疗GLS1激酶介导的疾病（包括癌症）的方法。
• 1, 3, 4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER
  申请人：Astrazeneca AB

  公开号：EP3148994A1

  公开（公告）日：2017-04-05
• 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER
  申请人：Astrazeneca AB

  公开号：EP3383871B1

  公开（公告）日：2019-09-11
• 1,3,4-Thiadiazole compounds and their use in treating cancer
  申请人：AstraZeneca AB

  公开号：US20170197954A1

  公开（公告）日：2017-07-13

  The specification relates to compounds of Formula (I), and pharmaceutically acceptable salts thereof, where Q, R, R 1 and R 2 have any of the meanings defined herein. The specification also relates to the use of such compounds and salts thereof to treat or prevent GLS1 mediated disease, including cancer. The specification further relates to crystalline forms of compounds of Formula (I) and pharmaceutically acceptable salts thereof; pharmaceutical compositions comprising such compounds and salts; kits comprising such compounds and salts; methods of manufacture of such compounds and salts; intermediates useful in the manufacture of such compounds and salts; and to methods of treating GLS1 kinase mediated disease, including cancer, using such compounds and salts.