6-甲氧基-5-甲基-1H-吲哚 | 1071973-95-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: 6-甲氧基-5-甲基-1H-吲哚
• 英文名称: 6-methoxy-5-methyl-1H-indole
• CAS: 1071973-95-9
• 化学式: C₁₀H₁₁NO
• 分子量: 161.203
• InChiKey: DYUQQIYVHISYAL-UHFFFAOYSA-N

物化性质

• 沸点：
  304.4±22.0 °C(Predicted)
• 密度：
  1.134±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  25
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

反应信息

• 作为反应物：
  描述：

  6-甲氧基-5-甲基-1H-吲哚 在 palladium 10% on activated carbon 、 氢气 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 、 ytterbium(III) triflate 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 174.0h， 生成 (1S,3S)-methyl 2-((2S)-2-(tert-butoxycarbonylamino)propanoyl)-1-isobutyl-7-methoxy-6-methyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
  参考文献：
  名称：

  Synthesis of a new inhibitor of breast cancer resistance protein with significantly improved pharmacokinetic profiles

  摘要：

  The design, synthesis, in vitro inhibitory potency, and pharmacokinetic (PK) profiles of Ko143 analogs are described. Compared to commonly used Ko143, the new breast cancer resistance protein (BCRP) inhibitor (compound A) showed the same potency and a significantly improved PK profile in rats (lower clearance [1.54 L/h/kg] and higher bioavailability [123%]). Ko143 on the other hand suffers from poor bioavailability. Compared to Ko143, compound A would be a useful probe for delineating the role of BCRP during in vivo studies in animals. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.11.077
• 作为产物：
  描述：

  (4-甲氧基-5-甲基-2-硝基苯基)乙腈 在 palladium on activated charcoal 氢气 作用下， 以 四氢呋喃 、 正丁醇 为溶剂， 反应 36.0h， 生成 6-甲氧基-5-甲基-1H-吲哚
  参考文献：
  名称：

  (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES

  摘要：

  公开号：

  EP2133332B1

文献信息

• [EN] TRIPARTITE MODULATORS OF ENDOSOMAL G PROTEIN-COUPLED RECEPTORS<br/>[FR] MODULATEURS TRIPARTITES DE RÉCEPTEURS COUPLÉS AUX PROTÉINES G DES ENDOSOMES
  申请人：TAKEDA PHARMACEUTICALS CO

  公开号：WO2017112792A1

  公开（公告）日：2017-06-29

  The present invention relates to tripartite compounds comprising a modulator moiety for endosomal G protein-coupled receptors like neurokinin-1 receptor, a linker and a lipid anchor suitable for anchoring the tripartite compound into a plasma membrane. The present invention also relates to a prodrug and a pharmaceutical composition comprising the tripartite compound and the use of the tripartite compound for the treatment of a disease or disorder mediated by endosomal G protein-coupled receptors signalling like NK1R signalling.

  本发明涉及三部分化合物，包括用于内体高尔基蛋白偶联受体（如神经激肽-1受体）的调节子基团，一个连接物和一个适合将三部分化合物锚定到细胞膜的脂质锚。本发明还涉及一种前药和含有三部分化合物的药物组合物，以及利用三部分化合物治疗由内体高尔基蛋白偶联受体信号传导介导的疾病或紊乱的用途。
• [EN] TRIPARTITE CONJUGATES CONTAINING A STRUCTURE INTERACTING WITH CELL MEMBRANE RAFTS AND THEIR USE<br/>[FR] CONJUGUES DE TRIPARTITE CONTENANT UNE STRUCTURE INTERAGISSANT AVEC DES RADEAUX DE MEMBRANES CELLULAIRES ET LEUR UTILISATION
  申请人：JADOLABS GMBH

  公开号：WO2005097199A1

  公开（公告）日：2005-10-20

  The present invention relates to a compound comprising a tripartite structure in the format C-B-A or C'-B'-A' wherein moiety A and moiety A' is a raftophile, moiety B and moiety B' is a linker, moiety C and moiety C' is a pharmacophore; and wherein moiety B and B' is a linker which has a backbone of at least 8 carbon atoms and wherein one or more of said carbon atoms may be replaced by nitrogen, oxygen or sulfur. Furthermore, specific medical and pharmaceutical uses of the compounds of the invention are disclosed.

  本发明涉及一种包含三部分结构的化合物，其格式为C-B-A或C'-B'-A'，其中部分A和部分A'是亲脂性基团，部分B和部分B'是连接基团，部分C和部分C'是药用基团；其中部分B和B'是具有至少8个碳原子骨架的连接基团，其中所述碳原子中的一个或多个可被氮、氧或硫取代。此外，还披露了该发明化合物的特定医学和药用用途。
• [EN] VEGFR TYROSINE KINASE INHIBITORS<br/>[FR] INHIBITEURS DE TYROSINE KINASE VEGFR
  申请人：SUZHOU VIVOTIDE BIOTECHNOLOGIES CO LTD

  公开号：WO2014183300A1

  公开（公告）日：2014-11-20

  Novel compounds, their prodrugs, and the pharmaceutically acceptable salts as pharmaceutical compositions containing such compounds useful in treating certain diseases modulated by the inhibition of vascular endothelial growth factors (VEGFs) receptor tyrosine kinases are provided. In particular, compounds and compositions and the methods for the prophylaxis, management and treatment of cancers through the inhibition of VEGF receptor tyrosine kinases are provided.

  提供了作为含有这些化合物的药物组合物的前药和药用盐，用于治疗受血管内皮生长因子（VEGFs）受体酪氨酸激酶抑制调节的特定疾病。具体提供了通过抑制VEGF受体酪氨酸激酶来预防、管理和治疗癌症的化合物、组合物和方法。
• Cp*Rh(III)-Catalyzed C–H Bond Difluorovinylation of Indoles with α,α-Difluorovinyl Tosylate
  作者：Lisheng Yang、Chunpu Li、Dechuan Wang、Hong Liu

  DOI：10.1021/acs.joc.9b00957

  日期：2019.6.7

  Unprecedented Rh(III)-catalyzed C–H bond difluorovinylation of indoles has been successfully developed, and this method provided an example of direct difluorovinylation reaction through C–H bond activation which was rarely reported. In this context, N-ethoxycarbamoyl served as the directing group and 2,2-difluorovinyl tosylates were used for the construction of difluorovinyl-substituted indoles. This

  前所未有的Rh（III）催化的吲哚CH-H键二氟乙烯基化已经成功开发，这种方法提供了一个通过C-H键激活直接二氟乙烯基化反应的例子，鲜有报道。在这种情况下，N-乙氧基氨基甲酰基用作导向基团，并且2，2-二氟乙烯基甲苯磺酸酯用于构建二氟乙烯基取代的吲哚。该方法提供了中等至良好产率的吲哚二氟乙烯基化的实用策略，并且其特征在于广泛的合成用途，温和的条件和高效率。
• [EN] SUBSTITUTED INDOLE COMPOUND DERIVATIVES AS DENGUE VIRAL REPLICATION INHIBITORS<br/>[FR] DÉRIVÉS D'INDOLE SUBSTITUÉS UTILISÉS EN TANT QU'INHIBITEURS DE RÉPLICATION DU VIRUS DE LA DENGUE
  申请人：JANSSEN PHARMACEUTICALS INC

  公开号：WO2017167952A1

  公开（公告）日：2017-10-05

  The present invention concerns substituted indole compounds, methods to prevent or treat dengue viral infections by using said compounds and also relates to said compounds for use as a medicine, more preferably for use as a medicine to treat or prevent dengue viral infections. The present invention furthermore relates to pharmaceutical compositions or combination preparations of the compounds, to the compositions or preparations for use as a medicine, more preferably for the prevention or treatment of dengue viral infections. The invention also relates to processes for preparation of the compounds.

  本发明涉及替代吲哚化合物，使用该化合物预防或治疗登革病毒感染的方法，并且还涉及将该化合物用作药物，更好地用作治疗或预防登革病毒感染的药物。本发明还涉及药物组合物或混合制剂的化合物，以及用作药物的组合物或制剂，更好地用于预防或治疗登革病毒感染。该发明还涉及化合物的制备过程。