[(3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-3-[[(3S)-3-(9-phenylnonanoyloxy)tetradecanoyl]amino]-5-sulfooxyoxan-4-yl] 9-phenylnonanoate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-3-[[(3S)-3-(9-phenylnonanoyloxy)tetradecanoyl]amino]-5-sulfooxyoxan-4-yl] 9-phenylnonanoate
• 化学式: C₅₀H₇₉NO₁₂S
• 分子量: 918.2
• InChiKey: CMFLZLVEEJRCCP-DFNRPQSLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.4
• 重原子数：
  64
• 可旋转键数：
  38
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  203
• 氢给体数：
  4
• 氢受体数：
  12

文献信息

• ESTERS AND AMIDES AS PLA2 INHIBITORS
  申请人：——

  公开号：US20020019416A1

  公开（公告）日：2002-02-14

  1 The present invention relates to a novel fatty acid derivative of formula (I), wherein R 1 is acyl group; R 2 is acyl(lower)alkyl; R 3 is hydrogen, aryl(lower)alkyl, etc.; R 4 is acyl(lower)alkyl; and X is —O—, —NH— or formula (II) [wherein R 5 is lower alkyl, etc.]; and a pharmaceutically acceptable salt thereof, which is useful as a medicament; the processes for the preparation of said fatty acid derivative or a salt thereof; a pharmaceutical composition comprising said fatty acid derivative or a pharmaceutically acceptable salt thereof; etc.

  本发明涉及一种新颖的脂肪酸衍生物，其化学式为（I），其中R1是酰基；R2是酰基（较低）烷基；R3是氢，芳基（较低）烷基等；R4是酰基（较低）烷基；X为—O—，—NH—或化学式（II）[其中R5为较低烷基等]；及其药学上可接受的盐，可用作药物；制备所述脂肪酸衍生物或其盐的方法；包含所述脂肪酸衍生物或其药学上可接受的盐的药物组合物等。
• Esters and amides as PLA2 inhibitors
  申请人：——

  公开号：US20040063959A1

  公开（公告）日：2004-04-01

  The present invention relates to a novel fatty acid derivative of the following formula: 1 wherein R 1 is acyl group; R 2 is acyl(lower)alkyl; R 3 is hydrogen, aryl(lower)alkyl, etc; R 4 is acyl(lower)alkyl; and X is —O—, —NH— or 2 [wherein R 5 is lower alkyl, etc]; and a pharmaceutically acceptable salt thereof, which is useful as a medicament; the processes for the preparation of said fatty acid derivative or a salt thereof; a pharmaceutical composition comprising said fatty acid derivative or a pharmaceutically acceptable salt thereof; etc.

  本发明涉及以下式子的新型脂肪酸衍生物：1其中R1是酰基；R2是酰基（较低）烷基；R3是氢、芳基（较低）烷基等；R4是酰基（较低）烷基；X是—O—、—NH—或2[其中R5是较低烷基等]；以及其药学上可接受的盐，其作为药物具有用途；制备该脂肪酸衍生物或其盐的方法；包含该脂肪酸衍生物或其药学上可接受的盐的制药组合物等。
• IMMUNOSUPPRESSANT CONTAINING GLUCOPYRANOSE DERIVATIVE AS ACTIVE INGREDIENT
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1088553A1

  公开（公告）日：2001-04-04

  An immunosuppressant comprising Glucopyranose derivatives of the formula (I): wherein R is H, OH etc; G is ―CH2CH(R1-R2)(R3-R4), in which R1 is a single bond, OCO-alkyl ; R2, R4 is H, phenyl which may be substituted by halogen atoms etc.; R3 is alkylene ; R5 is OCO-alkyl, R6 is H, phenyl which may be substituted by halogen atoms etc. or R5-R6 is OCO-Z-(dialkoxyphenyl); R7 is H, CH2OH etc; or non-toxic salts thereof as active ingredient. Glucopyranose derivatives of the formula (I) or non-toxic salts thereof possess an activity of immunosuppression, and being useful as the prevention and/or treatment of diseases caused by abnormal enhancement of immunity, e.g. allergic diseases, autoimmune diseases.

  一种由式(I)的吡喃葡萄糖衍生物组成的免疫抑制剂： 其中R是H、OH等；G是-CH2CH(R1-R2)(R3-R4)，其中R1是单键、OCO-烷基；R2、R4是H、可被卤素原子取代的苯基等；R3是亚烷基；R5是OCO-烷基，R6是H、可被卤素原子取代的苯基等，或R5-R6是OCO-Z-(二烷氧基苯基)；R7是H、CH2OH等；或其作为活性成分的无毒盐。 式（I）的吡喃葡萄糖衍生物或其无毒盐具有免疫抑制活性，可用于预防和/或治疗因免疫异常增强而引起的疾病，如过敏性疾病、自身免疫性疾病。
• Salts of glucopyranose derivative and its intermediate
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP0553786B1

  公开（公告）日：2002-04-17
• US5294723A
  申请人：——

  公开号：US5294723A

  公开（公告）日：1994-03-15