methyl 1-[4-[2-[N-methyl-N-(2-pyridyl)amino]ethoxy]benzyl]-4-phenyl-3-pyrrolecarboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: methyl 1-[4-[2-[N-methyl-N-(2-pyridyl)amino]ethoxy]benzyl]-4-phenyl-3-pyrrolecarboxylate
• 英文别名: methyl 1-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-4-phenylpyrrole-3-carboxylate
• 化学式: C₂₇H₂₇N₃O₃
• 分子量: 441.53
• InChiKey: ADZBDVJTHZHDRP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  33
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  56.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 1-[4-[2-[N-methyl-N-(2-pyridyl)amino]ethoxy]benzyl]-4-phenyl-3-pyrrolecarboxylate 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 以87%的产率得到[1-[4-[2-[N-methyl-N-(2-pyridyl)amino]ethoxy]benzyl]-4-phenyl-3-pyrrolyl]methanol
  参考文献：
  名称：

  5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY

  摘要：

  公开号：

  EP1228067B1
• 作为产物：
  描述：

  4-苯基-1H-吡咯-3-羧酸甲酯 、 4-[2-(methyl-2-pyridylamino)ethoxy]benzyl alcohol 在 氯化亚砜 、 sodium hydride 作用下， 以 甲苯 、 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 74.0h， 以70%的产率得到methyl 1-[4-[2-[N-methyl-N-(2-pyridyl)amino]ethoxy]benzyl]-4-phenyl-3-pyrrolecarboxylate
  参考文献：
  名称：

  5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY

  摘要：

  公开号：

  EP1228067B1

文献信息

• 5-membered n-heterocyclic compounds with hypoglycemic and hypolipidemic activity
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US07179823B1

  公开（公告）日：2007-02-20

  A compound of formula (I) F wherein R1 represents a hydrocarbon group which may be substituted or a heterocyclic group which may be substituted; x represents a bond, an oxygen atom, a sulfur atom, or a group of the formula: —CO—, —CS—, —CR4(OR5)— or —NR6— wherein each of R4 and R6 represents a hydrogen atom or a hydrocarbon group which may be stubstituted, R5 represents a hydrogen atom or a protective group for a hydroxyl group; m represents an integer of 0 to 3; Y represents an oxygen atom, a sulfur atom, or a group of the formula: —SO—, —SO2—, —NR7—, —CONR7— or —NR7CO— wherein R7 represents a hydrogen atom or a hydrocarbon group which may be substituted; ring A represents an aromatic ring which may further have 1 to 3 substituents; n represents an integer of 1 to 8; ring B represents a nitrogen-containing 5-membered hetero ring which may further be substituted by an alkyl group.

  化合物的式子为（I）F，其中R1代表一个可以被取代的碳氢基团或杂环基团；x代表一个键、一个氧原子、一个硫原子或者一个式子为：—CO—、—CS—、—CR4(OR5)—或—NR6—的基团，其中R4和R6分别代表一个氢原子或者一个可以被取代的碳氢基团，R5代表一个氢原子或者一个羟基的保护基团；m代表一个0到3的整数；Y代表一个氧原子、一个硫原子或者一个式子为：—SO—、—SO2—、—NR7—、—CONR7—或—NR7CO—的基团，其中R7代表一个氢原子或者一个可以被取代的碳氢基团；环A代表一个芳香环，可以有1到3个取代基；n代表一个1到8的整数；环B代表一个含氮的5元杂环，可以有一个烷基的取代基。
• 5-membered N-heterocyclic compounds with hypoglycemic and hypolipidemic activity
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1457490A1

  公开（公告）日：2004-09-15

  Use of a compound of the formula: wherein R1 represents a hydrocarbon group which may be substituted or a heterocyclic group which may be substituted; X represents a bond, an oxygen atom, a sulfur atom, or a group of the formula: -CO-, -CS-, -CR4(OR5)- or -NR6- wherein each of R4 and R6 represents a hydrogen atom or a hydrocarbon group which may be substituted, R5 represents a hydrogen atom or a protective group for a hydroxyl group; m represents an integer of 0 to 3; Y represents an oxygen atom, a sulfur atom, or a group of the formula: -SO-, -SO2-, -NR7-, -CONR7- or -NR7CO- wherein R7 represents a hydrogen atom or a hydrocarbon group which may be substituted; ring A represents an aromatic ring which may further have 1 to 3 substituents; n represents an integer of 1 to 8; ring B represents a nitrogen-containing 5-membered hetero ring which may further be substituted by an alkyl group; X1 represents a bond, an oxygen atom, a sulfur atom, or a group of the formula: -SO-, -SO2-, -O-SO2- or -NR16- wherein R16 represents a hydrogen atom or a hydrocarbon group which may be substituted; R2 represents a hydrogen atom, a hydrocarbon group which may be substituted or a heterocyclic group which may be substituted; W represents a bond or a divalent hydrocarbon residue having 1 to 20 carbon atoms; R3 represents a group of the formula: -OR8 (R8 represents a hydrogen atom or a hydrocarbon group which may be substituted) or -NR9R10 (each of R9 and R10, whether identical or not, represents a hydrogen atom, a hydrocarbon group which may be substituted, a heterocyclic group which may be substituted, or an acyl group which may be substituted; R9 and R10 may bind together to form a ring); or a salt thereof, for the manufacture of a pharmaceutical preparation for preventing or treating syndrome X.

  式化合物的用途： 其中 R1 代表可被取代的烃基或可被取代的杂环基； X 代表键、氧原子、硫原子或式中的基团：-其中 R4 和 R6 分别代表氢原子或可被取代的烃基，R5 代表氢原子或羟基的保护基团； m 代表 0 至 3 的整数； Y 代表氧原子、硫原子或式中的一个基团：-其中 R7 代表氢原子或可被取代的烃基； 环 A 代表芳香环，可进一步具有 1 至 3 个取代基； n 代表 1 至 8 的整数； 环 B 代表含氮 5 元杂环，可进一步被烷基取代； X1 代表键、氧原子、硫原子或式中的基团：-其中 R16 代表氢原子或可被取代的烃基； R2 代表氢原子、可被取代的烃基或可被取代的杂环基； W 代表键或具有 1 至 20 个碳原子的二价烃残基； R3 代表式中的一个基团：-OR8(R8代表氢原子或可被取代的烃基)或-NR9R10(R9和R10，无论是否相同，各自代表氢原子、可被取代的烃基、可被取代的杂环基或可被取代的酰基；R9和R10可结合在一起形成环)；或其盐、 用于制造预防或治疗 X 综合征的药物制剂。
• 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGYLCEMIC AND HYPOLIPIDEMIC ACTIVITY
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1228067A1

  公开（公告）日：2002-08-07
• US7179823B1
  申请人：——

  公开号：US7179823B1

  公开（公告）日：2007-02-20
• [EN] 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY<br/>[FR] COMPOSES HETEROCYCLIQUES N A 5 ELEMENTS A ACTIVITE HYPOGLYCEMIQUE ET HYPOLIPIDEMIQUE
  申请人：TAKEDA CHEMICAL INDUSTRIES LTD

  公开号：WO2001038325A1

  公开（公告）日：2001-05-31

  A compound of formula (I) F wherein R1 represents a hydrocarbon group which may be substituted or a heterocyclic group which may be substituted; x represents a bond, an oxygen atom, a sulfur atom, or a group of the formula: -CO-, -CS-, -CR4(OR5)- or -NR6- wherein each of R?4 and R6¿ represents a hydrogen atom or a hydrocarbon group which may be stubstituted, R5 represents a hydrogen atom or a protective group for a hydroxyl group; m represents an integer of 0 to 3; Y represents an oxygen atom, a sulfur atom, or a group of the formula: -SO-, -SO¿2?-, -NR7-, -CONR7- or -NR?7¿CO- wherein R7 represents a hydrogen atom or a hydrocarbon group which may be substituted; ring A represents an aromatic ring which may further have 1 to 3 substituents; n represents an integer of 1 to 8; ring B represents a nitrogen-containing 5-membered hetero ring which may further be substituted by an alkyl group.