7-mercapto-4-oxo-4H-chromene-2-carboxylic acid methyl ester | 95903-72-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 7-mercapto-4-oxo-4H-chromene-2-carboxylic acid methyl ester
• 英文别名: 2-carbomethoxy-7-mercapto-4-oxo-4H-1-benzopyran；7-mercaptochromone-2-carboxylic acid methyl ester；methyl 7-mercapto-4-oxo-4H-1-benzopyran-2-carboxylate；methyl 4-oxo-7-sulfanylchromene-2-carboxylate
• CAS: 95903-72-3
• 化学式: C₁₁H₈O₄S
• 分子量: 236.248
• InChiKey: MXOMLDWEYREFGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  53.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  7-mercapto-4-oxo-4H-chromene-2-carboxylic acid methyl ester 生成 Methyl 7-mercapto-4-methyl-2-oxo-8-n-propyl-2H-1-benzopyran-3-acetate
  参考文献：
  名称：

  Leukotriene antagonists

  摘要：

  具有以下化学式的化合物：##STR1## 是C.sub.4、D.sub.4和E.sub.4白三烯、过敏性慢反应物质的拮抗剂。这些化合物可用作抗哮喘、抗过敏、抗炎症剂和细胞保护剂。

  公开号：

  US04761425A1
• 作为产物：
  描述：

  7-mercapto-4-oxo-4H-1-benzopyran-2-carboxylic acid 生成 7-mercapto-4-oxo-4H-chromene-2-carboxylic acid methyl ester
  参考文献：
  名称：

  Leukotriene antagonists

  摘要：

  具有以下化学式的化合物：##STR1## 是C.sub.4、D.sub.4和E.sub.4白三烯、过敏性慢反应物质的拮抗剂。这些化合物可用作抗哮喘、抗过敏、抗炎症剂和细胞保护剂。

  公开号：

  US04761425A1

文献信息

• 4-oxo-benzopyran carboxylic acids
  申请人：Merck Frosst Canada Inc.

  公开号：US04609744A1

  公开（公告）日：1986-09-02

  Compounds of the Formula I: ##STR1## and pharmaceutically acceptable salts thereof are leukotriene antagonists. These compounds inhibit SRS-A and leukotriene synthesis and are antagonists of SRS-A and are thus useful in the treatment of asthma, allergic disorders, inflammation, skin diseases and certain cardiovascular disorders.

  化合物I的结构如下：##STR1##及其药用盐是白三烯拮抗剂。这些化合物抑制SRS-A和白三烯的合成，是SRS-A的拮抗剂，因此在治疗哮喘、过敏性疾病、炎症、皮肤疾病和某些心血管疾病中具有用途。
• Aromatic thioethers
  申请人：Ciba-Geigy Corporation

  公开号：US04785004A1

  公开（公告）日：1988-11-15

  Novel asymmetric thioethers of the formula ##STR1## in which the general symbols have the following meanings: R.sup.0 represents hydrogen or C.sub.1-7 -alkanoyl, R.sup.1 represents C.sub.1-3 -alkyl which may be substituted by one or more halogen atoms having an atomic number of at most 17, R.sup.2 represents an aliphatic radical having from 5 to 15 carbon atoms, A represents ethylene, a single bond or vinylene, B.sup.1 represents C.sub.1-7 -alkylene or phenylene, B.sup.2 represents a single bond, ethylene or phenylene, and M represents an aromatic radical of the partial formula ##STR2## in which the symbols have the following meanings: R.sup.3 represents hydrogen or C.sub.1-4 -alkyl, X represents NH, O, S or if R.sup.4 represents hydrogen, a single bond, one of the symbols R.sup.4 and R.sup.5 represents hydrogen and the other represents the group --CO--R.sup.6, or R.sup.4 and R.sup.5 together represent the radical --CO--C(R.sup.6).dbd.C(R.sup.7)--or--CO--C(R.sup.7).dbd.C(R.sup.6)--or R.sup.4 R.sup.5, together with X, represent the radical --N.dbd.C(R.sup.8)--C(R.sup.6).dbd.CH--, in which R.sup.6 represents --(CH.sub.2).sub.b --COOR.sup.3 (in which b=0 to 2) R.sup.7 represents hydrogen or C.sub.1-4 -alkyl and R.sup.8 represents hydrogen, methyl, mythoxy or halogen, and their salts are active as leucotriene antagonists since they eliminate the contractions of smooth muscles brought about by leucotrienes, and are therefore suitable for the treatment of allergic, especially asthmatic, conditions.

  新颖的非对称硫醚的化学式为##STR1##，其中一般符号的含义如下：R.sup.0代表氢或C.sub.1-7-烷酰基，R.sup.1代表C.sub.1-3-烷基，可以被一个或多个原子序数不超过17的卤素原子取代，R.sup.2代表具有5至15个碳原子的脂肪基，A代表乙烯基，一个单键或乙烯基，B.sup.1代表C.sub.1-7-烷基或苯基，B.sup.2代表一个单键，乙烯基或苯基，M代表部分化学式##STR2##中的芳香基，其中符号的含义如下：R.sup.3代表氢或C.sub.1-4-烷基，X代表NH，O，S或者如果R.sup.4代表氢，一个单键，R.sup.4和R.sup.5中的一个代表氢，另一个代表基团--CO--R.sup.6，或者R.sup.4和R.sup.5一起代表基团--CO--C(R.sup.6).dbd.C(R.sup.7)--或--CO--C(R.sup.7).dbd.C(R.sup.6)--或R.sup.4 R.sup.5，与X一起，代表基团--N.dbd.C(R.sup.8)--C(R.sup.6).dbd.CH--，其中R.sup.6代表--(CH.sub.2).sub.b--COOR.sup.3（其中b=0至2），R.sup.7代表氢或C.sub.1-4-烷基，R.sup.8代表氢，甲基，甲氧基或卤素，它们的盐作为白三烯拮抗剂活性，因为它们消除了由白三烯引起的平滑肌收缩，因此适用于治疗过敏，尤其是哮喘病情。
• Alkanophenones useful for treating allergies
  申请人：Ciba-Geigy Corporation

  公开号：US05149717A1

  公开（公告）日：1992-09-22

  Substituted alkanophenones of general formula ##STR1## in which R.sub.1 is unsubstituted or fluorinated lower alkyl, R.sub.2 is hydrogen, or unsubstituted or fluorinated lower alkyl or lower alkenyl, X is lower alkylene, oxy, thio or a direct bond, alk is lower alkylene, n is 1 or 2, R.sub.3 is phenyl that is unsubstituted or is substituted by unsubstituted or fluorinated lower alkyl, by etherified or esterified hydroxy, by unsubstituted or lower alkylated amino and/or by free, esterified or amidated carboxy, or is lower alkyl that is unsubstituted, substituted by fluoro and chloro or substituted by free esterified or amidated carboxy, R.sub.4 is free, esterified or amidated carboxy or 5-tetrazolyl, and R.sub.5 is hydrogen or lower alkyl, have leucotriene-antagonistic properties and can be used as anti-allergic active ingredients in medicaments.

  通式为##STR1##的烷基酮衍生物，其中 R.sub.1 为未取代或氟代的较低烷基，R.sub.2 为氢，或未取代或氟代的较低烷基或较低烯基，X 为较低烷基，氧，硫或直接键，alk 为较低烷基，n 为1或2，R.sub.3 为未取代的苯基或被未取代或氟代的较低烷基、醚化或酯化的羟基、未取代或较低烷基化的氨基和/或自由、酯化或酰胺化的羧基取代的苯基，或未取代的较低烷基，被氟和氯取代或被自由酯化或酰胺化的羧基取代，R.sub.4 为自由、酯化或酰胺化的羧基或5-四唑基，R.sub.5 为氢或较低烷基，具有白三烯拮抗性质，可用作药物中的抗过敏活性成分。
• Leukotriene antagonists, their production and use and compositions containing them
  申请人：MERCK FROSST CANADA INC.

  公开号：EP0123543A1

  公开（公告）日：1984-10-31

  Compounds of the formula I: and their pharmaceutically acceptable salts are leukotriene antagonists. These compounds inhibit SRS-A and leukotriene synthesis and are antagonists of SRS-A and are thus useful in the treatment of asthma, allergic disorders, inflammation, skin diseases and certain cardiovascular disorders. For this purpose they are made into pharmaceutical composition. In the formula, and B are hydrogen or certain rings, X is O, S, SO, or SO2; Y is H, OH, =0, or OR2; n is 0,1 or 2;a,b and c are 0 to 5; R' is one of CH2OH, CHO, tetrazolyl, CN, certain phenolic heterocycles, certain esterfied carboxyls, hydroxymethyl ketone, and certain substituted carbamoyl and sul- fonylamino groups: and R2 and R' are H oralkyl orform a ring.

  式 I.化合物及其药学上可接受的盐类是白三烯拮抗剂： 及其药学上可接受的盐类是白三烯拮抗剂。这些化合物可抑制 SRS-A 和白三烯的合成，是 SRS-A 的拮抗剂，因此可用于治疗哮喘、过敏性疾病、炎症、皮肤病和某些心血管疾病。为此，它们被制成药物组合物。 在式中，和 B 是氢或某些环，X 是 O、S、SO 或 SO2；Y 是 H、OH、＝0 或 OR2；n 是 0、1 或 2；a、b 和 c 是 0 至 5；R'是 CH2OH、CHO、四唑基、CN、某些酚杂环、某些酯化羧基、羟甲基酮和某些取代的氨基甲酰基和磺酰氨基中的一种：R2 和 R' 是 H 或烷基或构成一个环。
• US4609744A
  申请人：——

  公开号：US4609744A

  公开（公告）日：1986-09-02