N-[4-(2,4-Dioxothiazolidin-5-ylmethyl)phenyl]-4,5-dihydro-8-phenylaminothieno[3,4-g]-1,2-benzisoxazole-6-carboxamide | 364758-98-5

• 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: N-[4-(2,4-Dioxothiazolidin-5-ylmethyl)phenyl]-4,5-dihydro-8-phenylaminothieno[3,4-g]-1,2-benzisoxazole-6-carboxamide
• 英文别名: 8-anilino-N-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide
• CAS: 364758-98-5
• 化学式: C₂₆H₂₀N₄O₄S₂
• 分子量: 516.601
• InChiKey: LMPCROYMYIMTSS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  167
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-二甲氨基吡啶 、 草酰氯 、 4,5-dihydro-8-phenylaminothieno[3,4-g]-1,2-benzisoxazole-6-carboxylic acid 、 5-(4-aminobenzyl)thiazolidine-2,4-dione 在 sodium chloride 、 柠檬酸 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 以16%的产率得到N-[4-(2,4-Dioxothiazolidin-5-ylmethyl)phenyl]-4,5-dihydro-8-phenylaminothieno[3,4-g]-1,2-benzisoxazole-6-carboxamide
  参考文献：
  名称：

  Fused heterocyclic derivatives, their production and use

  摘要：

  披露了一种新型的融合噻吩衍生物，作为用于骨骼或关节疾病的预防和治疗药物，以及用于其生产的工业优势工艺和新型生产中间体。所述融合噻吩衍生物由通式(I)表示：其中R1是可选择地取代的碳氢化合物、杂环、砜基、磺酰基、羟基、硫醇或氨基；R2是氰基、甲酰基、硫代甲酰基等；环A是其中R3是氢或可选择地取代的碳氢化合物、杂环、羟基、氨基、磺酰基或酰基；R14是氢、卤素、可选择地取代的碳氢基团、可选择地取代的杂环基团等；环B代表可选择地取代的5至7成员碳氢环。

  公开号：

  US20030158245A1

文献信息

• FUSED HETEROCYCLIC DERIVATIVES, THEIR PRODUCTION AND USE
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1268486A2

  公开（公告）日：2003-01-02
• [EN] FUSED HETEROCYCLIC DERIVATIVES, THEIR PRODUCTION AND USE<br/>[FR] DERIVES HETEROCYCLIQUES FONDUS, LEUR PRODUCTION ET LEUR UTILISATION
  申请人：TAKEDA CHEMICAL INDUSTRIES LTD

  公开号：WO2001074823A2

  公开（公告）日：2001-10-11

  There is disclosed novel fused thiophene derivatives as prophylactic and therapeutic drugs for bone or articular diseases, industrially advantageous processes for production thereof, and novel production intermediates. Said fused thiophene derivatives are represented by the general formula (I) wherein R1 is an optionally substituted hydrocarbon, heterocyclic, sulfinyl, sulfonyl, hydroxyl, thiol or amino group,; R2 is cyano, formyl, thioformyl, etc.; ring A is any of formulae (a), (b) or (c) (wherein R3 is hydrogen or an optionally substituted hydrocarbon, heterocyclic, hydroxyl, amino, sulfonyl or acyl; R14 is hydrogen, halogen, optionally subsituted hydrocarbon group, optionally subsituted heterocyclic group etc.; and ring B represents an optionally substituted 5- to 7-membered hydrocarbon ring.
• Fused heterocyclic derivatives, their production and use
  申请人：——

  公开号：US20030158245A1

  公开（公告）日：2003-08-21

  There is disclosed novel fused thiophene derivatives as prophylactic and therapeutic drugs for bone or articular diseases, industrially advantageous processes for production thereof, and novel production intermediates. Said fused thiophene derivatives are represented by the general formula (I): 1 wherein R 1 is an optionally substituted hydrocarbon, heterocyclic, sulfinyl, sulfonyl, hydroxyl, thiol or amino group,; R 2 is cyano, formyl, thioformyl, etc.; ring A is any of 2 (wherein R 3 is hydrogen or an optionally substituted hydrocarbon, heterocyclic, hydroxyl, amino, sulfonyl or acyl; R 14 is hydrogen, halogen, optionally subsituted hydrocarbon group, optionally subsituted heterocyclic group etc.; and ring B represents an optionally substituted 5- to 7-membered hydrocarbon ring.

  披露了一种新型的融合噻吩衍生物，作为用于骨骼或关节疾病的预防和治疗药物，以及用于其生产的工业优势工艺和新型生产中间体。所述融合噻吩衍生物由通式(I)表示：其中R1是可选择地取代的碳氢化合物、杂环、砜基、磺酰基、羟基、硫醇或氨基；R2是氰基、甲酰基、硫代甲酰基等；环A是其中R3是氢或可选择地取代的碳氢化合物、杂环、羟基、氨基、磺酰基或酰基；R14是氢、卤素、可选择地取代的碳氢基团、可选择地取代的杂环基团等；环B代表可选择地取代的5至7成员碳氢环。