1-phosphono-4-(3-phenoxyphenyl)butylsulfonic acid | 188526-11-6

• 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: 1-phosphono-4-(3-phenoxyphenyl)butylsulfonic acid
• 英文别名: rac-BMS-187745；BPH-652；3-phenoxy-α-phosphonobenzenebutanesulfonic acid；4-(3-Phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid
• CAS: 188526-11-6
• 化学式: C₁₆H₁₉O₇PS
• 分子量: 386.362
• InChiKey: RCGCZPXSRLLKCK-UHFFFAOYSA-N

物化性质

• 密度：
  1.463±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  130
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS
  申请人：Oldfield Eric

  公开号：US20120022024A1

  公开（公告）日：2012-01-26

  This disclosure relates to compositions and methods including for the inhibition, prevention, and/or treatment of microbial infections, including infections from such pathogens as Staphylococcus aureus.

  本公开涉及包括用于抑制、预防和/或治疗微生物感染的组合物和方法，包括对金黄色葡萄球菌等病原体引起的感染。
• Alpha-phosphorous substituted sulfonate derivatives as squalene synthetase inhibitors
  申请人：E.R. Squibb & Sons, Inc.

  公开号：EP0595635A1

  公开（公告）日：1994-05-04

  α-Phosphonosulfonate compounds are provided which inhibit the enzyme squalene synthetase and thereby inhibit cholesterol biosynthesis. These comounds have the formula wherein R² is OR⁵ or R5a; R³ and R⁵ are independently H, alkyl, arylalkyl, aryl or cycloalkyl; R5a is H, alkyl, arylalkyl or aryl; R4 is H, alkyl, aryl, arylalkyl, or cycloalkyl;, Z is H, halogen, lower alkyl or lower alkenyl; and R¹ is a lipophilic group which contains at least 7 carbons and is alkyl, alkenyl, alkynyl, mixed alkenyl-alkynyl, aryl, arylalkyl, cycloalkyl, cycloalkylalkyl, heteroaryl, heteroarylalkyl, cycloheteroalkyl, cycloheteroalkylalkyl; as further defined above; including pharmaceutically acceptable salts and or prodrug esters of the phosphonic (phosphinic) and/or sulfonic acids.

  提供了α-磷酸磺酸酯化合物，可抑制齿烷合酶酶并从而抑制胆固醇生物合成。这些化合物的化学式为：其中R²是OR⁵或R5a; R³和R⁵独立地为H，烷基，芳基烷基，芳基或环烷基; R5a为H，烷基，芳基烷基或芳基; R4为H，烷基，芳基，芳基烷基或环烷基; Z为H，卤素，低烷基或低烯基; R¹为至少含有7个碳的疏水基团，为烷基，烯基，炔基，混合烯基-炔基，芳基，芳基烷基，环烷基，环烷基烷基，杂环芳基，杂环芳基烷基，环杂芳基烷基，环杂芳基烷基烷基; 包括磷酸（磷酸酯）和/或磺酸的药物可接受盐和/或前药酯。
• Phosphonosulfonate squalene synthetase inhibitor salts and method
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：EP0710665A1

  公开（公告）日：1996-05-08

  New salt forms of the phosphonosulfonate squalene synthetase inhibitor are provided which include the calcium, the t-butylamine salt, t-octylamine salt and the dehydroabietylamine salt. These salts inhibit cholesterol biosynthesis and therefore are used in lowering serum cholesterol and in treating atherosclerosis.

  膦磺酸盐角鲨烯合成酶抑制剂的新盐形式 提供了包括钙盐、t-丁基胺盐、t-辛基胺盐和脱氢二乙胺盐在内的新盐形式。这些盐可抑制胆固醇的生物合成，因此可用于降低血清胆固醇和治疗动脉粥样硬化。
• [EN] ALKYLAMINE WITH BENZOALICYCLIC SUBSTITUENT AND APPLICATION THEREOF<br/>[FR] ALKYLAMINE AVEC SUBSTITUANT BENZOALICYCLIQUE ET SON APPLICATION<br/>[ZH] 苯并脂肪环取代烷基胺类化合物及其用途
  申请人：UNIV EAST CHINA SCIENCE & TECH

  公开号：WO2017132912A1

  公开（公告）日：2017-08-10

  本发明提供一种苯并脂肪环取代烷基胺类化合物及其用途，具体地，涉及一种式I所示的化合物、或其药学上可接受的盐及其制备方法，以及其在制备金黄色葡萄球菌金黄色色素合成抑制剂类抗菌药物中的应用 (I).
• ANTIMICROBIAL THERAPY FOR BACTERIAL INFECTIONS
  申请人：Nizet Victor

  公开号：US20090306021A1

  公开（公告）日：2009-12-10

  The disclosure provides compounds and methods to treat bacterial pathogenesis, and demonstrates that the S. aureus pigment is a virulence factor and potential novel target for antimicrobial therapy.