4-methoxy-2-methylbenzothiazole-6-carboxylic acid | 739365-26-5

• 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: 4-methoxy-2-methylbenzothiazole-6-carboxylic acid
• 英文别名: 4-Methoxy-2-methylbenzo[D]thiazole-6-carboxylic acid；4-methoxy-2-methyl-1,3-benzothiazole-6-carboxylic acid
• CAS: 739365-26-5
• 化学式: C₁₀H₉NO₃S
• 分子量: 223.252
• InChiKey: DOVAMLFLRFKHDJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  87.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-methoxy-2-methylbenzothiazole-6-carboxylic acid 、 在 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 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-[(2S)-2-[4-(1-amino-2-methyl-1-oxopropan-2-yl)-6-(5-chloro-2,4-difluorophenyl)-5-fluoropyridin-2-yl]-2-hydroxy-2-phenylethyl]-4-methoxy-2-methyl-1,3-benzothiazole-6-carboxamide
  参考文献：
  名称：

  [EN] ANTIVIRAL COMPOUNDS
  [FR] COMPOSÉS ANTIVIRAUX

  摘要：

  The present invention discloses compounds of Formula (I), or pharmaceutically acceptable salts, esters, or prodrugs thereof: which inhibit Human Respiratory Syncytial Virus (HRSV) or Human Metapneumovirus (HMPV) inhibitors. The present invention further relates to pharmaceutical compositions comprising the compounds of Formula (I) for administration to a subject suffering from HRSV or HMPV infection. The invention also relates to methods of treating an HRSV or HMPV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  公开号：

  WO2023211997A1
• 作为产物：
  描述：

  4-氨基-3-甲氧基-5-硫烷基苯甲酸 、 乙酸酐 以 四氢呋喃 为溶剂， 反应 3.0h， 以to give the title compound (550 mg, Y.:99%) as white crystals的产率得到4-methoxy-2-methylbenzothiazole-6-carboxylic acid
  参考文献：
  名称：

  Compound inhibiting dipeptidyl peptidase IV

  摘要：

  一种二肽基肽酶IV抑制剂，其在活性、稳定性和安全性方面都令人满意，并且作为一种药物剂量具有出色的作用。该化合物表示为以下通式或其药学上可接受的盐：其中R1和R2各代表氢、可选地取代的C1-6烷基或—COOR5，其中R5代表氢或可选地取代的C1-6烷基，或者R1、R2和一个碳原子共同表示3-至6-环烷基，R3表示氢或可选地取代的C6-10芳基，R4表示氢或氰基，D表示—CONR6-、—CO—或—NR6CO—，R6表示氢或可选地取代的C1-6烷基，E表示—（CH2）m—，其中m为1至3，—CH2OCH2—或—SCH2—，n为0至3，A表示可选地取代的双环杂环基或双环碳氢基。

  公开号：

  US07345180B2

文献信息

• [EN] HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS<br/>[FR] COMPOSÉS MODULATEURS DE FXR (NR1H4) CONTENANT DES GROUHYDROXY
  申请人：GILEAD SCIENCES INC

  公开号：WO2016096115A1

  公开（公告）日：2016-06-23

  The present invention relates to compounds (1) which bind to the NR1 H4 receptor (FXR) and act as agonists of FXR. The invention further relates to the use of the compounds (1) for the preparation of a medicament for the treatment of diseases and/or conditions through binding of said nuclear receptor by said compounds and to a process for the synthesis of said compounds.

  本发明涉及结合NR1 H4受体（FXR）并作为FXR激动剂的化合物（1）。本发明还涉及利用这些化合物（1）制备药物以治疗疾病和/或病况，通过这些化合物结合所述核受体，并涉及这些化合物的合成过程。
• [EN] ANTIVIRAL HETEROCYCLIC COMPOUNDS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES ANTIVIRAUX
  申请人：ENANTA PHARM INC

  公开号：WO2021066922A1

  公开（公告）日：2021-04-08

  The present invention discloses compounds of Formula (I), or pharmaceutically acceptable salts, esters, or prodrugs thereof: which inhibit Human Respiratory Syncytial Virus (HRSV) or Human Metapneumovirus (HMPV) inhibitors. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HRSV or HMPV infection. The invention also relates to methods of treating an HRSV or HMPV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明公开了化合物的结构式（I），或其药学上可接受的盐、酯或前药：这些化合物抑制人类呼吸道合胞病毒（HRSV）或人类甲型流感病毒（HMPV）的抑制剂。本发明还涉及包含上述化合物的药物组合物，用于治疗患有HRSV或HMPV感染的受试者。该发明还涉及通过给予含有本发明化合物的药物组合物来治疗受试者的HRSV或HMPV感染的方法。
• HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS
  申请人：Gilead Sciences, Inc.

  公开号：US20160176861A1

  公开（公告）日：2016-06-23

  The present invention relates to compounds which bind to the NR1H4 receptor (FXR) and act as agonists of FXR. The invention further relates to the use of the compounds for the preparation of a medicament for the treatment of diseases and/or conditions through binding of said nuclear receptor by said compounds and to a process for the synthesis of said compounds.

  本发明涉及与NR1H4受体（FXR）结合并作为FXR激动剂的化合物。本发明进一步涉及利用这些化合物制备药物，通过这些化合物与该核受体结合治疗疾病和/或病况，以及制备这些化合物的合成过程。
• COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV
  申请人：SANWA KAGAKU KENKYUSHO CO., LTD.

  公开号：EP1595866A1

  公开（公告）日：2005-11-16

  The invention aims to provide a dipeptidyl peptidase IV inhibitor which is satisfactory in respect of activity, stability and safety and has an excellent action as a pharmaceutical agent. The invention is directed to a compound represented by the following general formula or a pharmaceutically acceptable salt thereof: wherein R1 and R2 each represents hydrogen, an optionally substituted C1-6 alkyl group, or -COOR5 whereupon R5 represents hydrogen or an optionally substituted C1-6 alkyl group, or R1 and R2, together with a carbon atom to which they are bound, represent a 3- to 6-membered cycloalkyl group, R3 represents hydrogen or an optionally substituted C6-10 aryl group, R4 represents a hydrogen or a cyano group, D represents -CONR6-, -CO- or -NR6CO-, R6 represents hydrogen or an optionally substituted C1-6 alkyl group, E represents -(CH2)m- whereupon m is an integer of 1 to 3, -CH2OCH2-, or -SCH2-, n is an integer of 0 to 3, and A represents an optionally substituted bicyclic heterocyclic group or bicyclic hydrocarbon group.

  本发明旨在提供一种二肽基肽酶 IV 抑制剂，该抑制剂在活性、稳定性和安全性方面都令人满意，并且作为药剂具有出色的作用。本发明涉及由以下通式代表的化合物或其药学上可接受的盐： 其中 R1 和 R2 各自代表氢、任选取代的 C1-6 烷基或 -COOR5 其中 R5 代表氢或任选取代的 C1-6 烷基，或 R1 和 R2 与它们结合的碳原子一起代表 3 至 6 元环烷基，R3 代表氢或任选取代的 C6-10 芳基、R4代表氢或氰基，D代表-CONR6-、-CO-或-NR6CO-，R6代表氢或任选取代的C1-6烷基，E代表-(CH2)m-，其中m为1至3的整数，-CH2OCH2-或-SCH2-，n为0至3的整数，A代表任选取代的双环杂环基团或双环烃基团。
• Hydroxy containing FXR (NR1H4) modulating compounds
  申请人：Gilead Sciences, Inc.

  公开号：EP3034501A1

  公开（公告）日：2016-06-22

  The present invention relates to compounds of formula (1) which bind to the NR1H4 receptor (FXR) and act as agonists of FXR. The invention further relates to the use of the compounds for the preparation of a medicament for the treatment of diseases and/or conditions through binding of said nuclear receptor by said compounds and to a process for the synthesis of said compounds.

  本发明涉及与 NR1H4 受体 (FXR) 结合并作为 FXR 激动剂的式 (1) 化合物。本发明进一步涉及化合物在制备通过所述化合物与所述核受体结合治疗疾病和/或病症的药物中的用途，以及所述化合物的合成工艺。