methyl 7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-propoxy]-3,4-dihydro-8-propyl-2H-1-benzopyran-2-carboxylate | 98193-35-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl 7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-propoxy]-3,4-dihydro-8-propyl-2H-1-benzopyran-2-carboxylate
• 英文别名: 2-carbomethoxy-7-[3-(2-n-propyl-3-hydroxy-4-acetylphenoxy)propoxy]-8-n-propylchroman；Methyl 7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy) propoxy]-3,4-dihydro-8-propyl-2H-1-benzopyran-2-carboxylate；methyl 7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-3,4-dihydro-8-propyl-2H-1-benzopyran-2-carboxylate；methyl 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-3, 4-dihydro-8-propyl-2H-1-benzopyran-2-carboxylate；methyl 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-3,4-dihydro-8-propyl-2H-1-benzopyran-2-carboxylate；methyl 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-3,4-dihydro-8-propyl-2H-1-benzopyran-2-oate；Methyl 7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]3,4-dihydro-8-propyl-2H-l-benzopyran-2-carboxylate；methyl 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylate
• CAS: 98193-35-2
• 化学式: C₂₈H₃₆O₇
• 分子量: 484.59
• InChiKey: PYDHPHFBIATEMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  35
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  91.3
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  methyl 7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-propoxy]-3,4-dihydro-8-propyl-2H-1-benzopyran-2-carboxylate 在 lithium hydroxide 、 potassium carbonate 作用下， 以 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 7-[3-(4-acetyl-3-methoxy-2-propylphenoxy)-propoxy]-3,4-dihydro-8-propyl-2H-1-benzopyran-2-carboxylic acid
  参考文献：
  名称：

  7- [3-（4-乙酰基-3-甲氧基-2-丙基苯氧基）丙氧基] -3,4-二氢-8-丙基-2H-1-苯并吡喃-2-羧酸：口服活性白三烯B4受体拮抗剂。

  摘要：

  DOI：

  10.1021/jm00126a001
• 作为产物：
  描述：

  3-(2-丙基-3-羟基-4-乙酰基苯氧基)-1-碘丙烷 在 palladium on activated charcoal 氢气 、 potassium carbonate 、 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 75.0 ℃ 、413.69 kPa 条件下， 生成 methyl 7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-propoxy]-3,4-dihydro-8-propyl-2H-1-benzopyran-2-carboxylate
  参考文献：
  名称：

  7- [3-（4-乙酰基-3-甲氧基-2-丙基苯氧基）丙氧基] -3,4-二氢-8-丙基-2H-1-苯并吡喃-2-羧酸：口服活性白三烯B4受体拮抗剂。

  摘要：

  DOI：

  10.1021/jm00126a001

文献信息

• Substituted dihydrobenzopyrans useful as leukotriene D.sub.4 inhibitors
  申请人：G. D. Searle & Co.

  公开号：US04665203A1

  公开（公告）日：1987-05-12

  The invention relates to compounds of the formula: ##STR1## which are useful as leukotriene D.sub.4 (LTD.sub.4) inhibitors and therefore useful in the treatment of allergies and inflammatory conditions.

  这项发明涉及以下化合物的公式：##STR1## 这些化合物可用作白三烯D.sub.4（LTD.sub.4）抑制剂，因此在治疗过敏和炎症性疾病方面很有用。
• Leukotriene B.sub.4 antagonists
  申请人：G. D. Searle & Co.

  公开号：US05516917A1

  公开（公告）日：1996-05-14

  This invention relates to compounds of Formula I and the stereoisomers and pharmaceutically acceptable salts thereof ##STR1## wherein R is alkyl, alkenyl, alkynyl, or cycloalkylalkyl; R.sup.1 is alkyl; R.sup.2 represents alkyl from 1 to 5 carbon atoms, aryl or aryl substituted with halogen or alkyl from 1 to 5 carbon atoms; R.sup.6 is alkyl; n is 1 to 5; p is 0 to 6; x is 0 or 2; and R.sup.4 and R.sup.5 are independently hydrogen or alkyl or together with N form a cycloalkylamine. The compounds of Formula I are leukotriene B.sub.4 antagonists and are useful as anti-inflammatory agents and in treating disease conditions mediated by LTB.sub.4.

  该发明涉及公式I的化合物及其立体异构体和药学上可接受的盐，其中R为烷基，烯基，炔基或环烷基烷基；R.sup.1为烷基；R.sup.2代表1至5个碳原子的烷基，芳基或芳基，其上取代有卤素或1至5个碳原子的烷基；R.sup.6为烷基；n为1至5；p为0至6；x为0或2；而R.sup.4和R.sup.5独立地是氢或烷基，或与N一起形成环烷基胺。公式I的化合物是白三烯B.sub.4拮抗剂，可用作抗炎药物，并用于治疗由LTB.sub.4介导的疾病状况。
• Substituted dihydrobenzopyran-2-carboxylates
  申请人：G. D. Searle & Co.

  公开号：US04565882A1

  公开（公告）日：1986-01-21

  The invention relates to substituted dihydrobenzopyrans carboxylates of the formula: ##STR1## wherein A is a methylene chain having 1-10 carbon atoms, inclusive, optionally substituted by hydroxy; wherein V is: (a) hydrogen; (b) hydroxy; (c) .dbd.O; or (d) R.sub.6 CH.sub.2 O--; wherein R.sub.1 is: (a) --COCH.sub.3 ; (b) --CHOHCH.sub.3 ; (c) --C.sub.2 H.sub.5 ; (d) -hydrogen; or (e) --COOC.sub.2 H.sub.5 wherein R.sub.2 is: (a) -hydrogen; (b) -hydroxy; or (c) R.sub.12 CH.sub.2 CO.sub.2 --; wherein R.sub.3, R.sub.4, R.sub.6, R.sub.7, R.sub.8, R.sub.9, R.sub.10, R.sub.11 and R.sub.12 each of which may be the same or different, are: (a) hydrogen; (b) lower-alkyl having 1-6 carbon atoms inclusive; or (c) allyl; wherein R.sub.5 is: (a) hydrogen; or (b) R.sub.7 CH.sub.2 C(O)--; wherein R.sub.13 is hydrogen, hydroxy, alkoxy of 1 to 6 carbon atoms inclusive, or --OM wherein M is an alkali metal, alkyl of 1 to 6 carbon atoms, inclusive, or NR.sub.8.sup..sym. R.sub.9 R.sub.10 R.sub.11, or HNR.sub.8.sup..sym. R.sub.9 R.sub.10, or the pharmacologically acceptable addition salts thereof, which are useful as leukotriene D.sub.4 (LTD.sub.4) inhibitors and therefore useful in the treatment of allergies and inflammatory conditions.

  该发明涉及一种具有以下结构的替代二氢苯并吡喃羧酸酯：其中A是具有1-10个碳原子的亚甲基链，可以选择性地被羟基取代；其中V是：(a) 氢；(b) 羟基；(c) .dbd.O；或(d) R.sub.6 CH.sub.2 O--；其中R.sub.1是：(a) --COCH.sub.3；(b) --CHOHCH.sub.3；(c) --C.sub.2 H.sub.5；(d) -氢；或(e) --COOC.sub.2 H.sub.5；其中R.sub.2是：(a) -氢；(b) -羟基；或(c) R.sub.12 CH.sub.2 CO.sub.2 --；其中R.sub.3、R.sub.4、R.sub.6、R.sub.7、R.sub.8、R.sub.9、R.sub.10、R.sub.11和R.sub.12中的每一个可以相同也可以不同，分别是：(a) 氢；(b) 具有1-6个碳原子的低碳烷基；或(c) 烯丙基；其中R.sub.5是：(a) 氢；或(b) R.sub.7 CH.sub.2 C(O)--；其中R.sub.13是氢、羟基、1至6个碳原子的烷氧基，或--OM，其中M是碱金属、具有1至6个碳原子的烷基，或NR.sub.8.sup..sym. R.sub.9 R.sub.10 R.sub.11，或HNR.sub.8.sup..sym. R.sub.9 R.sub.10，或其药理学上可接受的盐，这些物质可用作白三烯D.sub.4（LTD.sub.4）抑制剂，因此在过敏和炎症症状的治疗中有用。
• Alkoxy-substituted dihydrobenzopyran-2-carboxylic acids and derivatives
  申请人：G. D. Searle & Co.

  公开号：US05051438A1

  公开（公告）日：1991-09-24

  This invention relates to compounds of Formula I and the stereoisomers and pharmaceutically acceptable salts thereof ##STR1## wherein R is alkyl, alkenyl, alkynyl, or cycloalkylalkyl and m is 1 or 2; R.sup.1 is alkyl of 1 to 4 carbon atoms; R.sup.2 is hydrogen or alkyl of 1 to 5 carbon atoms; R.sup.4 is alkyl of 1 to 6 carbon atoms; n is an integer from 1 to 5; and Y is NH or oxygen. The compounds of Formula I are leukotriene B.sub.4 antagonists and are useful as anti-inflammatory agents and in the treatment of LTB.sub.4 mediated diseases.

  这项发明涉及到式I的化合物及其立体异构体和药用盐，其中R是烷基、烯基、炔基或环烷基烷基，m为1或2；R.sup.1是1至4个碳原子的烷基；R.sup.2是氢或1至5个碳原子的烷基；R.sup.4是1至6个碳原子的烷基；n是1至5的整数；Y是NH或氧。式I的化合物是白三烯B.sub.4拮抗剂，可用作抗炎药物，并用于治疗由LTB.sub.4介导的疾病。
• Method of diminishing the adverse effects of interleukin-2
  申请人：——

  公开号：US20020016360A1

  公开（公告）日：2002-02-07

  A method and composition for preserving or enhancing the beneficial effects of interlude-2 (IL-2) while simultaneously mitigating the adverse effects of IL-2 on a subject is disclosed. The method involves administering an amount of a leukotriene B 4 (LTB 4 ) antagonist, preferably a LTB 4 receptor antagonistic, to a subject exhibiting adverse pharmacological effects due to exogenous IL-2, where the amount administered to the subject is sufficient to decrease the IL-2 induces adverse effects. Also disclosed is an article of manufacturing comprising a composition of the leukotriene B 4 antagonist in combination with labeling instructions for treatment. Also disclosed is a method for preparing a pharmaceutical composition. Generally the LTB 4 antagonist will reduce the IL-2-induced adverse effects while preserving or enhancing the anti tumor, antiviral, or immunostimulatory effects of IL-2, thereby improving the therapeutic index of IL-2.

  本发明揭示了一种用于保护或增强白细胞介素-2（IL-2）的有益效果，同时减轻IL-2对受试者的不良影响的方法和组合物。该方法涉及向因外源性IL-2而出现不良药理效应的受试者施用一定量的白三烯B4（LTB4）拮抗剂，优选为LTB4受体拮抗剂，其中向受试者施用的量足以降低IL-2引起的不良效应。本发明还揭示了一种制造物品，包括白三烯B4拮抗剂组合物和治疗标签说明书。本发明还揭示了一种制备药物组合物的方法。通常，LTB4拮抗剂将减少IL-2引起的不良效应，同时保护或增强IL-2的抗肿瘤、抗病毒或免疫刺激作用，从而提高IL-2的治疗指数。