3-methoxy-4-((4-methoxybenzyl)oxy)benzonitrile | 938410-53-8

• 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: 3-methoxy-4-((4-methoxybenzyl)oxy)benzonitrile
• 英文别名: 3-Methoxy-4-(4-methoxy-benzyloxy)-benzonitrile；3-methoxy-4-[(4-methoxyphenyl)methoxy]benzonitrile
• CAS: 938410-53-8
• 化学式: C₁₆H₁₅NO₃
• 分子量: 269.3
• InChiKey: GBEMUDJYTCQXSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  51.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-methoxy-4-((4-methoxybenzyl)oxy)benzonitrile 在 uranyl(VI) acetate dihydrate 、 三氟乙酸 作用下， 以 溶剂黄146 为溶剂， 以56 %的产率得到4-羟基-3-甲氧基苯甲腈
  参考文献：
  名称：

  通过铀酰光催化脱保护苄基衍生基团

  摘要：

  为了规避与易燃/爆炸性氢气相关的危害并解决还原系统中的底物兼容性问题，我们开发了一种在环境条件下可见光照射下由铀促进的温和的苄基脱保护方法。铀-氧物种作为金属-氧型光敏剂，具有与水分的相容性，可通过配体到金属电荷转移（LMCT）激发来激活苄基C-H。随后大气中的氧气捕获苯甲基自由基，从而诱导苯甲基位置发生氧化。发生半缩醛的去除，导致酸性条件下 C-O 键断裂。该方法条件温和，操作方便，与水分和氧气兼容。它提出了用于合成药物和有机材料的苄基脱保护的补充策略。

  DOI：

  10.1021/acs.organomet.4c00080
• 作为产物：
  描述：

  3-甲氧基-4-[(4-甲氧基苯基)甲氧基]苯甲醛 在 吡啶 、 氧气 、 铜 、 氯化铵 作用下， 反应 24.0h， 生成 3-methoxy-4-((4-methoxybenzyl)oxy)benzonitrile
  参考文献：
  名称：

  2-芳基-1，2，2，4-三唑并[1，5-a]吡啶衍生物的合成及抗肿瘤活性。

  摘要：

  合成了一系列新颖的2-芳基-1,2,4-三唑并[1,5-a]吡啶衍生物，并评估了它们在体外对人卵巢癌细胞系（HO-8910）和人肝癌的细胞毒活性。细胞系（贝尔7402）。与顺铂相比，大多数化合物对癌细胞系表现出高或中等活性。测试了其中两个在Bel 7402上的凋亡。

  DOI：

  10.2174/157340610791321505

文献信息

• [EN] TROPOMYOSIN RECEPTOR KINASE (TRK) DEGRADATION COMPOUNDS AND METHODS OF USE<br/>[FR] COMPOSÉS DE DÉGRADATION DE RÉCEPTEURS À ACTIVITÉ KINASE LIÉS À LA TROPOMYOSINE (TRK) ET MÉTHODES D'UTILISATION
  申请人：CULLGEN SHANGHAI INC

  公开号：WO2021170109A1

  公开（公告）日：2021-09-02

  This disclosure relates to bivalent compounds (e.g., bi-functional small molecule compounds), compositions comprising one or more of the bivalent compounds, and to methods of use the bivalent compounds for the treatment of certain disease in a subject in need thereof. The disclosure also relates to methods for identifying such bivalent compounds.

  这份披露涉及双价化合物（例如，双功能小分子化合物），包含一种或多种双价化合物的组合物，以及利用这些双价化合物治疗患有特定疾病的受试者的方法。该披露还涉及识别此类双价化合物的方法。
• TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS
  申请人：Genzyme Corporation

  公开号：US20150158847A1

  公开（公告）日：2015-06-11

  Tropomyosin-related kinase inhibitors (Trk inhibitors) are small molecule compounds useful in the treatment of disease. Trk inhibitors can be used as pharmaceutical agents and in pharmaceutical compositions. Trk inhibitors are useful in the treatment of inflammatory diseases, autoimmune disease, defects of bone metabolism and/or cancer, and are particularly useful in the treatment of osteoarthritis (OA), pain, and pain associated with OA. Trk inhibitors are also useful for inhibiting tropomyosin-related kinase A (TrkA), tropomyosin-related kinase B (TrkB), tropomyosin-related kinase C (TrkC), and/or c-FMS (the cellular receptor for colony stimulating factor-1 (CSF-1)).

  Tropomyosin相关激酶抑制剂（Trk抑制剂）是治疗疾病的小分子化合物。Trk抑制剂可用作药物代理和药物组合物。Trk抑制剂在治疗炎症性疾病、自身免疫疾病、骨代谢缺陷和/或癌症方面非常有用，特别适用于骨关节炎（OA）、疼痛以及与OA相关的疼痛的治疗。Trk抑制剂还可用于抑制与肌浆蛋白相关的激酶A（TrkA）、与肌浆蛋白相关的激酶B（TrkB）、与肌浆蛋白相关的激酶C（TrkC）和/或c-FMS（促红细胞生成因子-1（CSF-1）的细胞受体）有关的作用。
• [EN] SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS<br/>[FR] NAPHTYRIDINES SUBSTITUÉES ET LEUR UTILISATION COMME INHIBITEURS DE SYK KINASE
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2011092128A1

  公开（公告）日：2011-08-04

  The invention relates to new substituted naphthyridines of formula (1), as well as pharmacologically acceptable salts, diastereomers, enantiomers, racemates, hydrates or solvates thereof, wherein R1 is selected from among -O-R3 or -NR3R4, R3 is C1-6-alkyl which is substituted by R5 and R6 R5 is selected from hydrogen, branched or linear C1-6-alkyl, C2-6-alkenyl, -C1-6-alkylen-O-C1-3-alkyl, C1-3-haloalkyl, R6 is ring X wherein n is either 0 or 1, and Formula (I) is a either a single or a double bond and wherein A, B, D and E are each independently from one another selected from CH2, CH, C, N, NH, O or S and wherein ring X is attached to the molecule either via position A, B, D or E, wherein said ring X may optionally be further substituted by one, two or three residues each selected individually from the group consisting of -oxo, hydroxy, -C1-3-alkyl, -C1-3-haloalkyl, -O-C1-3-alkyl, -C1-3-alkanol and halogen, and wherein R4, R2, R7, R8, R9, R10, R11 and Q may have the meanings as given in claim 1, as well as pharmaceutical compositions containing these compounds.

  该发明涉及公式（1）的新取代萘啉衍生物，以及其药理学上可接受的盐、对映体、非对映体异构体、立体异构体、水合物或溶剂化合物，其中R1从-O-R3或-NR3R4中选择，R3是C1-6-烷基，其被R5和R6取代，R5从氢、支链或直链C1-6-烷基、C2-6-烯基、-C1-6-烷基-氧-C1-3-烷基、C1-3-卤代烷基中选择，R6是环X，其中n为0或1，公式（I）为单键或双键，其中A、B、D和E分别独立地从CH2、CH、C、N、NH、O或S中选择，环X通过位置A、B、D或E连接到分子上，其中所述环X可以选择性地进一步被一个、两个或三个残基取代，每个残基分别从-氧化物、羟基、-C1-3-烷基、-C1-3-卤代烷基、-O-C1-3-烷基、-C1-3-醇基和卤素组成的群中选择，R4、R2、R7、R8、R9、R10、R11和Q的含义可以如权利要求1中所述，以及含有这些化合物的药物组合物。
• SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS
  申请人：Hoffmann Matthias

  公开号：US20120028939A1

  公开（公告）日：2012-02-02

  The invention relates to new substituted naphthyridines of formula 1, as well as pharmacologically acceptable salts, diastereomers, enantiomers, racemates, hydrates or solvates thereof, wherein R 1 is selected from among —O—R 3 or —NR 3 R 4 , R 3 is C 1-6 -alkyl which is substituted by R 5 and R 6 , R 5 is selected from hydrogen, branched or linear C 1-6 -alkyl, C 2-6 -alkenyl, —C 1-6 -alkylen-O—C 1-3 -alkyl, C 1-3 -haloalkyl, R 6 is ring X wherein n is either 0 or 1, and is a either a single or a double bond and wherein A, B, D and E are each independently from one another selected from CH 2 , CH, C, N, NH, O or S and wherein ring X is attached to the molecule either via position A, B, D or E, wherein said ring X may optionally be further substituted by one, two or three residues each selected individually from the group consisting of -oxo, hydroxy, —C 1-3 -alkyl, —C 1-3 -haloalkyl, —O—C 1-3 -alkyl, —C 1-3 -alkanol and halogen, and wherein R 4 , R 2 , R 7 , R 8 , R 9 , R 10 , R 11 and Q may have the meanings as given in claim 1, as well as pharmaceutical compositions containing these compounds.

  该发明涉及公式1的新取代萘啉类化合物，以及其药理学上可接受的盐、对映体、旋光异构体、消旋体、水合物或溶剂合物，其中R1从—O—R3或—NR3R4中选择，R3是经R5和R6取代的C1-6烷基，R5从氢、支链或直链C1-6烷基、C2-6烯基、—C1-6烷基氧基-C1-3烷基、C1-3卤代烷基中选择，R6是环X，其中n为0或1，为单键或双键，A、B、D和E各自独立地从CH2、CH、C、N、NH、O或S中选择，环X通过位置A、B、D或E连接到分子，所述环X可以选择地进一步由氧代、羟基、—C1-3烷基、—C1-3卤代烷基、—O—C1-3烷基、—C1-3烷醇和卤素中的每个单独选择的一个、两个或三个残基取代，并且R4、R2、R7、R8、R9、R10、R11和Q可以具有如权利要求1中所给出的含义，以及含有这些化合物的药物组合物。
• Substituted naphthyridines and their use as medicaments
  申请人：Hoffmann Matthias

  公开号：US08969568B2

  公开（公告）日：2015-03-03

  The invention relates to new substituted naphthyridines of formula 1, as well as pharmacologically acceptable salts, diastereomers, enantiomers, racemates, hydrates or solvates thereof, wherein R1 is selected from among —O—R3 or —NR3R4, R3 is C1-6-alkyl which is substituted by R5 and R6, R5 is selected from hydrogen, branched or linear C1-6-alkyl, C2-6-alkenyl, —C1-6-alkylen-O—C1-3-alkyl, C1-3-haloalkyl, R6 is ring X wherein n is either 0 or 1, and is a either a single or a double bond and wherein A, B, D and E are each independently from one another selected from CH2, CH, C, N, NH, O or S and wherein ring X is attached to the molecule either via position A, B, D or E, wherein said ring X may optionally be further substituted by one, two or three residues each selected individually from the group consisting of -oxo, hydroxy, —C1-3-alkyl, —C1-3-haloalkyl, —O—C1-3-alkyl, —C1-3-alkanol and halogen, and wherein R4, R2, R7, R8, R9, R10, R11 and Q may have the meanings as given in claim 1, as well as pharmaceutical compositions containing these compounds.

  本发明涉及公式1的新取代萘啶，以及其药学上可接受的盐、对映体、立体异构体、外消旋体、水合物或溶剂化物，其中R1从—O—R3或—NR3R4中选择，R3是被R5和R6取代的C1-6-烷基，R5从氢、支链或线性C1-6-烷基、C2-6-烯基、—C1-6-烷基氧基-C1-3-烷基、C1-3-卤代烷基中选择，R6是环X，其中n为0或1，且为单键或双键，A、B、D和E各自独立地从CH2、CH、C、N、NH、O或S中选择，环X通过位置A、B、D或E连接到分子上，在此环X可以选择进一步取代，该取代可以单独从-氧代、羟基、—C1-3-烷基、—C1-3-卤代烷基、—O—C1-3-烷基、—C1-3-烷醇和卤素中选择，R4、R2、R7、R8、R9、R10、R11和Q的含义如权利要求1所述，以及包含这些化合物的制药组合物。