6-ethoxycarbonyl-7-hydroxy-4-methylthieno<3,2-b>pyridin-5(4H)-one | 83179-00-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并吡啶类
• 英文名称: 6-ethoxycarbonyl-7-hydroxy-4-methylthieno<3,2-b>pyridin-5(4H)-one
• 英文别名: 4,5-dihydro-7-hydroxy-4-methyl-5-oxo-thieno[3,2-b]pyridine-6-carboxylic acid ethyl ester；ethyl 7-hydroxy-4-methyl-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-6-carboxylate；ethyl 7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxylate
• CAS: 83179-00-4
• 化学式: C₁₁H₁₁NO₄S
• 分子量: 253.279
• InChiKey: HIPFWNUYTALNMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  95.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6-ethoxycarbonyl-7-hydroxy-4-methylthieno<3,2-b>pyridin-5(4H)-one 在 三氯氧磷 作用下， 反应 4.0h， 生成 ethyl 5,7-dichlorothieno<3,2-b>pyridine-6-carboxylate
  参考文献：
  名称：

  Barker, John M.; Huddleston, Patrick R.; Keenan, Guy J., Journal of Chemical Research, Miniprint, 1982, # 6, p. 1726 - 1746

  摘要：

  DOI：
• 作为产物：
  描述：

  methyl 3-(3-ethoxy-N-methyl-3-oxopropanamido)thiophene-2-carboxylate 在 sodium ethanolate 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 0.5h， 生成 6-ethoxycarbonyl-7-hydroxy-4-methylthieno<3,2-b>pyridin-5(4H)-one
  参考文献：
  名称：

  WO2008/137060

  摘要：

  公开号：

文献信息

• [EN] THIENOPYRIDONE CARBOXAMIDES AND THEIR MEDICAL USE<br/>[FR] CARBOXAMIDES DE THIÉNOPYRIDONE ET LEUR UTILISATION MÉDICALE
  申请人：ACTIVE BIOTECH AB

  公开号：WO2005123744A1

  公开（公告）日：2005-12-29

  A compound of formula (I) wherein R is methyl, ethyl, n-propyl, iso-propyl, n-butyl or allyl; R´ is hydrogen, C1-C4 alkyl, C1-C3 alkoxy; halogen, trifluoromethyl or OCHxFy, R´´ is hydrogen, fluoro or chloro, that R´´ being fluoro or chloro only when R´ is fluoro or chloro; R3 is hydrogen or C1-C5 alkyl, R4 is hydrogen, CH2OCOC(CH3)3, pharmaceutically acceptable inorganic or organic cations, or COR4´ wherein R4´ is C1-C5 alkyl, phenyl, benzyl or phenethyl; R7 is methyl or ethyl; one of A and B is sulphur and the other is C-R2; when A is S, R2 is selected from hydrogen and methyl, with the proviso that R2 is methyl only when R3 is not hydrogen; and when B is S, R2 is hydrogen; and any tautomer thereof. A pharmaceutical composition comprising a compound of formula (I), a method of treating malignant tumours or diseases resulting from autoimmunity or pathologic inflammation.

  式（I）的化合物，其中R是甲基、乙基、正丙基、异丙基、正丁基或烯丙基；R´是氢、C1-C4烷基、C1-C3烷氧基、卤素、三氟甲基或OCHxFy；R´´是氢、氟或氯，当R´是氟或氯时，R´´仅为氟或氯；R3是氢或C1-C5烷基，R4是氢、CH2OCOC(CH3)3、药学上可接受的无机或有机阳离子，或COR4´，其中R4´是C1-C5烷基、苯基、苄基或苯乙基；R7是甲基或乙基；A和B中的一个是硫，另一个是C-R2；当A为S时，R2从氢和甲基中选择，但R2仅当R3不是氢时为甲基；当B为S时，R2为氢；及其任何互变异构体。包括式（I）的化合物的药物组合物，一种治疗恶性肿瘤或由自身免疫或病理性炎症引起的疾病的方法。
• Novel compounds
  申请人：Bjork Anders

  公开号：US20060004038A1

  公开（公告）日：2006-01-05

  A compound of formula (I) wherein R is methyl, ethyl, n-propyl, iso-propyl, n-butyl or allyl; R′ is hydrogen, C 1 -C 4 alkyl, C 1 -C 3 alkoxy; halogen, trifluoromethyl or OCH x F y , R″ is hydrogen, fluoro or chloro, that R″ being fluoro or chloro only when R′ is fluoro or chloro; R 3 is hydrogen or C 1 -C 5 alkyl R 4 is hydrogen, CH 2 OCOC(CH 3 ) 3 , pharmaceutically acceptable inorganic or organic cations, or COR 4 ′ wherein R 4 ′ is C 1 -C 5 alkyl, phenyl, benzyl or phenethyl; R 7 is methyl or ethyl; one of A and B is sulphur and the other is C—R 2 ; when A is S, R 2 is selected from hydrogen and methyl, with the proviso that R 2 is methyl only when R 3 is not hydrogen; and when B is S, R 2 is hydrogen; and any tautomer thereof. A pharmaceutical composition comprising a compound of formula (I), a method of treating malignant tumours or diseases resulting from autoimmunity or pathologic inflammation.

  化合物的化学式为(I)，其中R为甲基、乙基、正丙基、异丙基、正丁基或烯丙基；R′为氢、C1-C4烷基、C1-C3烷氧基、卤素、三氟甲基或OCHxFy；R″为氢、氟或氯，当R′为氟或氯时，R″仅为氟或氯；R3为氢或C1-C5烷基；R4为氢、CH2OCOC(CH3)3、药学上可接受的无机或有机阳离子，或COR4′，其中R4′为C1-C5烷基、苯基、苄基或苯乙基；R7为甲基或乙基；A和B中的一个为硫，另一个为C-R2；当A为S时，R2从氢和甲基中选择，但R3不为氢时，R2仅为甲基；当B为S时，R2为氢；以及其任何互变异构体。一种包含化合物(I)的药物组合物，一种治疗恶性肿瘤或由自身免疫或病理性炎症引起的疾病的方法。
• Heterocyclic quinolone derivatives that inhibit prolyl hydroxylase activity
  申请人：Amgen Inc.

  公开号：US08030346B2

  公开（公告）日：2011-10-04

  Compounds of Formula I are useful inhibitors of HIF prolyl hydroxylases. Compounds of Formula I have the following structure: where the definitions of the variables are provided herein.

  式子I的化合物是HIF脯氨酸羟化酶的有用抑制剂。式子I的化合物具有以下结构：其中变量的定义在此处提供。
• Heterocyclic quinolone derivatives that inhbit prolyl hydroxylase activity
  申请人：Allen Jennifer R.

  公开号：US20090156633A1

  公开（公告）日：2009-06-18

  Compounds of Formula I are useful inhibitors of HIF prolyl hydroxylases. Compounds of Formula I have the following structure: where the definitions of the variables are provided herein.

  I类化合物是HIF脯氨酸羟化酶的有用抑制剂。I类化合物具有以下结构：其中变量的定义在此提供。
• BARKER, J. M.;HUDDLESTON, P. R.;KEENAN, G. J., J. CHEM. RES. MICROFICHE, 1982, N 6, 158
  作者：BARKER, J. M.、HUDDLESTON, P. R.、KEENAN, G. J.

  DOI：——

  日期：——