(2R)-2-amino-2-methyl-4-{1-methyl-5-[4-(4-cyanophenyl)butanoyl]pyrrol-2-yl}butan-1-ol

• 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: (2R)-2-amino-2-methyl-4-{1-methyl-5-[4-(4-cyanophenyl)butanoyl]pyrrol-2-yl}butan-1-ol
• 英文别名: 4-[4-[5-[(3R)-3-amino-4-hydroxy-3-methylbutyl]-1-methylpyrrol-2-yl]-4-oxobutyl]benzonitrile
• 化学式: C₂₁H₂₇N₃O₂
• 分子量: 353.464
• InChiKey: BCSLVHPGRDJVGY-OAQYLSRUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  26
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  92
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2R)-2-amino-2-methyl-4-{1-methyl-5-[4-(4-cyanophenyl)butanoyl]pyrrol-2-yl}butan-1-ol 、 富马酸 以 甲醇 为溶剂， 以45%的产率得到(2R)-2-amino-2-methyl-4-{1-methyl-5-[4-(4-cyanophenyl)butanoyl]pyrrol-2-yl}butan-1-ol hemifumarate
  参考文献：
  名称：

  EP1733724

  摘要：

  公开号：
• 作为产物：
  描述：

  (2R)-1-acetoxy-2-acetylamino-2-methyl-4-{1-methyl-5-[4-(4-cyanophenyl)-1-(4-(4-cyanophenyl)butanoyloxy)but-1-enyl]pyrrol-2-yl}butane 在 甲醇 、 lithium hydroxide 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以79%的产率得到(2R)-2-amino-2-methyl-4-{1-methyl-5-[4-(4-cyanophenyl)butanoyl]pyrrol-2-yl}butan-1-ol
  参考文献：
  名称：

  EP1733724

  摘要：

  公开号：

文献信息

• Amino alcohol compound
  申请人：Nishi Takahide

  公开号：US20070191468A1

  公开（公告）日：2007-08-16

  A pharmaceutical composition is provided that has a low toxicity, demonstrates superior physicochemical properties and pharmacokinetics, and has superior peripheral blood lymphocyte count lowering activity. The pharmaceutical composition contains a compound having general formula (I): [Chemical Formula 1] (wherein R 1 represents a methyl group or an ethyl group, R 2 represents a methyl group or an ethyl group, and R 3 represents a phenyl group substituted with 1 to 3 substituents selected from the group consisting of a halogen atom, a lower alkyl group, a cycloalkyl group, a lower alkoxy group, a halogeno lower alkyl group, a lower aliphatic acyl group and a cyano group), a pharmacologically acceptable salt thereof or a pharmacologically acceptable ester thereof.

  提供了一种低毒性、表现出优越的物理化学性质和药代动力学，并具有优越的外周血淋巴细胞计数降低活性的药物组合物。该药物组合物包含具有一般式（I）的化合物：[化学式1]（其中R1代表甲基基团或乙基基团，R2代表甲基基团或乙基基团，R3代表苯基，该苯基被1至3个取自卤原子、较低烷基基团、环烷基团、较低烷氧基团、卤代较低烷基基团、较低脂肪酰基基团和氰基的取代基所取代），以及其药理学上可接受的盐或药理学上可接受的酯。
• Method for suppressing the number of peripheral blood lymphocytes using an amino alcohol compound
  申请人：Sankyo Company, Limited

  公开号：US07910617B2

  公开（公告）日：2011-03-22

  A method for suppressing the number of peripheral blood lymphocytes involving administering to a human in need thereof a pharmaceutically effective amount of a compound which is (2R) -2-amino-2-methyl-4-1-methyl-5-[4-(4-methylphenyl)butanoyl]pyrrol-2-yl}butan-1-ol or a pharmacologically acceptable salt thereof, such as the hydrochloride salt.

  一种抑制外周血淋巴细胞数量的方法，涉及向需要的人体内给予一种药物有效量的化合物，该化合物为（2R）-2-氨基-2-甲基-4-1-甲基-5-[4-(4-甲基苯基)丁酰基]吡咯-2-基}丁-1-醇或其药理学上可接受的盐，如盐酸盐。
• AMINO ALCOHOL COMPOUND
  申请人：Sankyo Company, Limited

  公开号：EP1733724A1

  公开（公告）日：2006-12-20

  A pharmaceutical composition is provided that has a low toxicity, demonstrates superior physicochemical properties and pharmacokinetics, and has superior peripheral blood lymphocyte count lowering activity. The pharmaceutical composition contains a compound having general formula (I): (wherein R1 represents a methyl group or an ethyl group, R2 represents a methyl group or an ethyl group, and R3 represents a phenyl group substituted with 1 to 3 substituents selected from the group consisting of a halogen atom, a lower alkyl group, a cycloalkyl group, a lower alkoxy group, a halogeno lower alkyl group, a lower aliphatic acyl group and a cyano group), a pharmacologically acceptable salt thereof or a pharmacologically acceptable ester thereof.

  本研究提供了一种药物组合物，它具有低毒性、优异的理化性质和药代动力学特性，并具有优异的降低外周血淋巴细胞计数的活性。 该药物组合物含有通式（I）的化合物： (其中 R1 代表甲基或乙基，R2 代表甲基或乙基，R3 代表被 1 至 3 个选自卤素原子、低级烷基、环烷基、低级烷氧基、卤代低级烷基、低级脂肪酰基和氰基的取代基取代的苯基）、其药理学上可接受的盐或其药理学上可接受的酯。
• CYCLIC AMINE DERIVATIVE CONTAINING PPAR REGULATOR
  申请人：Sankyo Company, Limited

  公开号：EP1915994A1

  公开（公告）日：2008-04-30

  [Object] To provide a pharmaceutical composition which is excellent as a medicament for prevention or treatment of diseases relating to immune action such as autoimmune diseases. [Means for Solution] A pharmaceutical composition comprising 1 or 2 or more selected from PPAR regulators and 1 or 2 or more selected from the group consisting of amino alcohol derivatives of the general formula (I): [wherein R1 and R2 are the same or different, and each represents a hydrogen atom or the like; R3 represents a C1-C6 alkyl group or a hydroxymethyl group; R4 represents a hydrogen atom, a C1-C6 alkyl group or the like; R5 represents a phenyl group substituted with 1 to 3 substituents selected from the group consisting of a hydrogen atom, a halogen atom, a cyano group, a C1-C6 alkyl group or the like; X represents a vinylene group (CH=CH group), an oxygen atom or the like; Y represents a single bond, an oxygen atom or the like; Z represents a single bond, a C1-C8 alkylene group or the like; n represents an integer of 2 or 3]; and pharmacologically acceptable salt thereof.

  [目的]提供一种药物组合物，该药物组合物是预防或治疗自身免疫性疾病等与免疫作用有关的疾病的优良药物。 [解决方法］ 一种药物组合物，包括 1或2种或更多选自PPAR调节剂和 1或2个或2个以上选自通式(I)的氨基醇衍生物组成的组： 其中 R1 和 R2 相同或不同，各自代表氢原子或类似物； R3 代表 C1-C6 烷基或羟甲基； R4 代表氢原子、C1-C6 烷基或类似物； R5 代表被 1 至 3 个选自氢原子、卤素原子、氰基、C1-C6 烷基或类似物组成的取代基取代的苯基；X 代表乙烯基（CH=CH 基）、氧原子或类似物； Y 代表单键、氧原子或类似物； Z 代表单键、C1-C8 亚烷基或类似物； n 代表 2 或 3 的整数]；以及 其药理学上可接受的盐。
• DRUG-PHOSPHORYLATING ENZYME
  申请人：Daiichi Sankyo Company, Limited

  公开号：EP2045325B1

  公开（公告）日：2012-09-19