(+)-(S)-methoxy-(4-methoxyphenyl)-acetic acid | 929217-73-2

• 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: (+)-(S)-methoxy-(4-methoxyphenyl)-acetic acid
• 英文别名: (2S)-2-methoxy-2-(4-methoxyphenyl)acetic acid；(S)-α-methoxy-2-(4-methoxyphenyl)acetic acid
• CAS: 929217-73-2
• 化学式: C₁₀H₁₂O₄
• 分子量: 196.203
• InChiKey: WHGLWFDLHAFGMG-VIFPVBQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 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：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  L-薄荷醇 、 (+)-(S)-methoxy-(4-methoxyphenyl)-acetic acid 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 生成 (-)-menthyl (S)-α-methoxy-α-(p-methoxyphenyl)acetate
  参考文献：
  名称：

  Determining factors in the assignment of the absolute configuration of alcohols by NMR. The use of anisotropic effects on remote positions

  摘要：

  The factors governing the efficiency of arylmethoxyacetic acids (AMAAs) For the determination of the absolute configuration of alcohols by NMR, have been identified and their influence studied. The largest Delta delta(RS) values are obtained either increasing the size of the aryl ring (i.e. alpha-(9-anthryl)-alpha-methoxyacetic acid, 5), or the population of the most stable conformer (i.e. reagent 3 at low temperature). The use of 5 to induce useful shifts on remote protons of complex molecules (i.e. androsterone) is described.

  DOI：

  10.1016/s0040-4020(97)00512-7
• 作为产物：
  描述：

  在 甲醇 、 高碘酸 、 乙酰氯 作用下， 以 乙醚 为溶剂， 反应 3.0h， 生成 (+)-(S)-methoxy-(4-methoxyphenyl)-acetic acid
  参考文献：
  名称：

  酒石酸衍生的二酮的高度化学和非对映选择性亲核三氟甲基化合成对映体三氟甲基结构单元。

  摘要：

  基于酒石酸的二酮的高度非对映选择性亲核性单（三氟甲基化），使用三氟甲基（三甲基）硅烷，得到了相应的γ-酮基三氟甲基甲醇。研究了该反应的范围和局限性。酸性除去保护加合物的两个羟基的丙酮化物部分是不成功的。在碱性条件下，芳族衍生物的双（O-甲基化），然后进行酸性水解和氧化裂解，产生两种不同的对映体纯产物：α-芳基-α-甲氧基-α-三氟甲基乙醛和α-芳基-α-甲氧基羧酸。最终，整个过程是将一种天然手性原料转化为两种功能化的对映纯结构单元（包括三氟甲基单元）的有趣方法。

  DOI：

  10.1021/jo062016z

文献信息

• [EN] 1, 3, 4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER<br/>[FR] COMPOSÉS DE 1,3,4-THIADIAZOLE ET LEUR UTILISATION DANS LE TRAITEMENT DU CANCER
  申请人：ASTRAZENECA AB

  公开号：WO2015181539A1

  公开（公告）日：2015-12-03

  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。
• [EN] NOVEL GLUTAMINE ANALOGS<br/>[FR] NOUVEAUX ANALOGUES DE LA GLUTAMINE
  申请人：JACOBIO PHARMACEUTICALS CO LTD

  公开号：WO2022078416A1

  公开（公告）日：2022-04-21

  Glutamine analogs, a composition containing the glutamine analogs and the use thereof.

  谷氨酰胺类似物，一种含有谷氨酰胺类似物的组合物及其使用。
• 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。
• Enantiomerically pure α-methoxyaryl acetaldehydes as versatile precursors: a facile chemo-enzymatic methodology for their preparation
  作者：Buddh Singh、Pankaj Gupta、Asha Chaubey、Rajinder Parshad、Shiromani Sharma、Subhash C. Taneja

  DOI：10.1016/j.tetasy.2008.10.023

  日期：2008.11

  A facile and efficient synthesis of optically active alpha-methoxyaryl acetic acids (up to 95% ee), alpha-methoxyaryl ethanols (up to 93% ee) and alpha-methoxyaryl acetonitriles (up to 93% ee) was achieved via Arthrobacter sp. lipase-catalyzed kinetic resolution of masked aldehydes as the key synthons, that is, alpha-hydroxyaryl acetaldehyde acetals. (C) 2008 Elsevier Ltd. All rights reserved.