methyl 2-imino-3-methylbutanoate | 57294-52-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: methyl 2-imino-3-methylbutanoate
• 英文别名: 2-Imino-3-methylbuttersaeure-methylester；2-Iminoisovaleriansaeure-methylester
• CAS: 57294-52-7
• 化学式: C₆H₁₁NO₂
• 分子量: 129.159
• InChiKey: OAQNSVCIRDZOTC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• [EN] INHIBITORS OF PLK<br/>[FR] INHIBITEURS DE PLK
  申请人：CHROMA THERAPEUTICS LTD

  公开号：WO2009141575A1

  公开（公告）日：2009-11-26

  Compounds of formula (I) are PLK inhibitors, useful for the treatment of cell proliferative diseases wherein R1 is hydrogen, or an optionally substituted (C1-C6)alkyl, (C2-C6)alkenyl, (C2-C6)alkynyl or (C3-C6)cycloalkyl group; R2 is hydrogen, or an optionally substituted (C1-C6)alkyl, (C2-C6)alkenyl, (C2-C6)alkynyl or (C3-C6)cycloalkyl group; R3 is hydrogen, -CN, hydroxyl, halogen, optionally substituted (C1C6)alkyl, (C2-C6)alkenyl, (C2-C6)alkynyl or (C3-C6)cycloalkyl, -NR6R7 or C1-C4 alkoxy, wherein R6 and R7 are independently hydrogen or optionally substituted (C1C6)alkyl; ring A is an optionally substituted mono- or bi-cyclic carbocyclic or heterocyclic ring or a ring system having up to 12 ring atoms; T is a radical of formula (II) wherein R4 is a carboxylic acid group (-COOH), or an ester group which is hydrolysable by one or more intracellular esterase enzymes to a carboxylic acid group; R5 and R15 independently represent the side chain of a natural or non-natural alpha amino acid but neither of R5 and R15 is hydrogen, or R5 and R15 taken together with the carbon atom to which they are attached form a C3-C7 cycloalkyl ring; and Y, L1 and X1 are as defined in the claims.

  式(I)的化合物是PLK抑制剂，用于治疗细胞增殖性疾病，其中R1是氢，或者是一个可选择取代的(C1-C6)烷基，(C2-C6)烯基，(C2-C6)炔基或(C3-C6)环烷基；R2是氢，或者是一个可选择取代的(C1-C6)烷基，(C2-C6)烯基，(C2-C6)炔基或(C3-C6)环烷基；R3是氢，-CN，羟基，卤素，可选择取代的(C1C6)烷基，(C2-C6)烯基，(C2-C6)炔基或(C3-C6)环烷基，-NR6R7或C1-C4烷氧基，其中R6和R7分别独立地是氢或可选择取代的(C1C6)烷基；环A是一个可选择取代的单环或双环碳环或杂环，或者是一个具有最多12个环原子的环系统；T是式(II)中的基团，其中R4是一个羧酸基(-COOH)，或者是一个可被一个或多个胞内酯酶水解为羧酸基的酯基；R5和R15独立地代表天然或非天然α-氨基酸的侧链，但R5和R15中的任何一个都不是氢，或者R5和R15与它们连接的碳原子一起形成一个C3-C7环烷基环；Y，L1和X1如权利要求中所定义。