3,4-dihydro-2H-1,4-benzothiazine-7-carboxylic acid | 195142-55-3

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 3,4-dihydro-2H-1,4-benzothiazine-7-carboxylic acid
• 英文别名: 2H-1,4-Benzothiazine-7-carboxylic acid, 3,4-dihydro-
• CAS: 195142-55-3
• 化学式: C₉H₉NO₂S
• mdl: MFCD20655962
• 分子量: 195.242
• InChiKey: SQBFMDTYGSMTHZ-UHFFFAOYSA-N

物化性质

• 沸点：
  400.9±45.0 °C(Predicted)
• 密度：
  1.352±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,4-dihydro-2H-1,4-benzothiazine-7-carboxylic acid 在 sodium hydroxide 、 三氯化铝 、 双氧水 作用下， 生成 3,4-Dihydro-2H-1,4-benzothiazine-5,7-dicarboxylic acid
  参考文献：
  名称：

  Synthesis and antirheumatic activity of novel tetrahydroquinoline-8-carboxylic acid derivatives

  摘要：

  A study of the modification of N-alkylanthranilic acids to develop novel DMARDs is detailed. 1,2,3,4-Tetrahydroquinoline-8-carboxylic acid derivatives were found to exhibit a therapeutic effect on adjuvant arthritis and a suppressive effect on bone destruction. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00261-8

文献信息

• 15-PGDH INHIBITOR
  申请人：Kyorin Pharmaceutical Co., Ltd.

  公开号：EP3922247A1

  公开（公告）日：2021-12-15

  [Problem] To provide a compound having a 15-PGDH inhibitory effect. [Solution] A compound represented by general formula (1) or a pharmacologically acceptable salt thereof.

  问题 提供一种具有 15-PGDH 抑制作用的化合物。 [解决方案］ 一种由通式（1）代表的化合物或其药理学上可接受的盐。
• An Improved Process for the Large-Scale Preparation of Antirheumatic Agent MX-68
  作者：Noriaki Maruyama、Hirohito Shimizu、Takashi Sugiyama、Masashi Watanabe、Masashi Makino、Masahiro Kato、Makoto Shimizu

  DOI：10.1021/op049867y

  日期：2004.11.1

  A large-scale preparation route of MX-68, a novel MTX derivative bearing a dihydro-2H-1,4-benzothiazine moiety and L-homogulutamic acid, is described. The original route that is a laboratory-scale synthesis for preclinical study has been improved. The improved process involves the following features: each step does not use haloalkane solvents, corrosive reagents, and chromatographic purification, and the formation of the major impurity at the final step is minimized. This improvement has enabled us to supply sufficient quantities of MX-68, which is required for both the toxicity test and the clinical study.
• [EN] 15-PGDH INHIBITOR<br/>[FR] INHIBITEUR DE 15-PGDH<br/>[JA] １５－ＰＧＤＨ阻害薬
  申请人：KYORIN SEIYAKU KK

  公开号：WO2020145250A1

  公开（公告）日：2020-07-16

  【課題】　１５－ＰＧＤＨ阻害作用を有する化合物を提供する。 【解決手段】　一般式（１）で表される化合物またはその薬理学的に許容される塩。