(2-hydroxy-4-mercaptophenyl)ethanone | 35204-52-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2-hydroxy-4-mercaptophenyl)ethanone
• 英文别名: 2-hydroxy-4-mercapto-acetophenone；2'-Hydroxy-4'-mercaptoacetophenon；1-(2-Hydroxy-4-sulfanylphenyl)ethanone
• CAS: 35204-52-5
• 化学式: C₈H₈O₂S
• 分子量: 168.216
• InChiKey: CGJLHSZYCSQTEL-UHFFFAOYSA-N

物化性质

• 熔点：
  60–62°C
• 沸点：
  313.8±32.0 °C(Predicted)
• 密度：
  1.274±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  38.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (2-hydroxy-4-mercaptophenyl)ethanone 以87%的产率得到
  参考文献：
  名称：

  APPLETON R. A.; BANTICK J. R.; CHAMBERLAIN T. R.; HARDERN D. N.; LEE T. B+, J. MED. CHEM. , 1977, 20, NO 3, 371-379

  摘要：

  DOI：
• 作为产物：
  描述：

  4’-氨基-2’-羟基苯乙酮 生成 (2-hydroxy-4-mercaptophenyl)ethanone
  参考文献：
  名称：

  慢反应物质的拮抗剂。一系列色酮-2-羧酸的合成。

  摘要：

  合成了一系列取代的色酮-2-羧酸，并作为SRS-A诱导的豚鼠回肠收缩收缩的拮抗剂进行了测试。这项工作导致发现7- [3-（4-乙酰基-3-羟基-2-丙基苯氧基）-2-羟基丙氧基] -4-氧代-8-丙基-4H-1-苯并吡喃-2-羧酸钠（FPL 55712 ），这是第一个报道的SRS-A特异性拮抗剂。讨论了该系列生物活性的一些结构要求。

  DOI：

  10.1021/jm00213a012

文献信息

• COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC SYNDROME
  申请人：Kandula Mahesh

  公开号：US20150080345A1

  公开（公告）日：2015-03-19

  The invention relates to the compounds of formula I and formula II or its pharmaceutical acceptable salts, as well as polymorphs, solvates, enantiomers, stereoisomers and hydrates thereof. The pharmaceutical compositions comprising an effective amount of compounds of formula I or formula II, and methods for treating or preventing or modulating metabolic syndrome may be formulated for oral, buccal, rectal, topical, transdermal, transmucosal, intravenous, parenteral administration, syrup, or injection. such compositions may be used to treatment of fasting hyperglycemia, diabetes mellitus type 2, impaired fasting glucose, impaired glucose tolerance, or insulin resistance, high blood pressure, central obesity (also known as visceral, male-pattern or apple-shaped adiposity), overweight with fat deposits mainly around the waist, decreased HDL cholesterol, elevated triglycerides, hyperuricemia, fatty liver (especially in concurrent obesity) progressing to NAFLD, polycystic ovarian syndrome (in women), hypophosphatemia, renal diseases, albuminuria, end stage renal disease, and acanthosis nigricans.

  本发明涉及化学式I和化学式II的化合物或其药学上可接受的盐，以及其多晶型、溶剂合物、对映体、立体异构体和水合物。包括化学式I或化学式II化合物的有效量的药物组合物，以及用于治疗、预防或调节代谢综合征的方法可以制成口服、颊内、直肠、局部、经皮、经粘膜、静脉、肠道、糖浆或注射剂的制剂。这些组合物可以用于治疗空腹高血糖、2型糖尿病、空腹血糖受损、糖耐量受损或胰岛素抵抗、高血压、中心性肥胖（也称为内脏、男性型或苹果形脂肪）、腰部脂肪沉积较多的超重、HDL胆固醇降低、甘油三酯升高、高尿酸血症、脂肪肝（尤其是伴有肥胖的进展到NAFLD）、多囊卵巢综合征（女性）、低磷血症、肾脏疾病、蛋白尿、晚期肾脏疾病和棕色糠疹。
• 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。
• Sulphur-containing 5-hydroxy-alkanoic acid derivatives, their use as pharmaceutical preparations and process for their production
  申请人：Lilly Industries Limited

  公开号：EP0068739B1

  公开（公告）日：1984-11-14
• Neue Alkanophenone
  申请人：CIBA-GEIGY AG

  公开号：EP0335315B1

  公开（公告）日：1994-06-22