4-cycloheptyloxy-3-oxo-butyric acid ethyl ester | 373359-02-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: 4-cycloheptyloxy-3-oxo-butyric acid ethyl ester
• 英文别名: ethyl 4-cycloheptyloxy-3-oxobutanoate
• CAS: 373359-02-5
• 化学式: C₁₃H₂₂O₄
• 分子量: 242.315
• InChiKey: IGKQSFZMHMCBBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-氯乙酰乙酸乙酯 、 环庚醇 在 盐酸 作用下， 以 乙二醇二甲醚 为溶剂， 以84%的产率得到4-cycloheptyloxy-3-oxo-butyric acid ethyl ester
  参考文献：
  名称：

  Gastrin and cholecystokinin receptor lignads (iv)

  摘要：

  化合物(I)或(II)的配方及其药学上可接受的盐是胃泌素和/或胆囊肽受体的配体。其中n为1至4; R4为C1至C15烃基，其中最多可有两个C原子被N、O和/或S原子替换，最多可有三个H原子被卤素原子替换; Z为-(NR5)a-CO-(NR6)b-(其中a为0或1，b为0或1，R5和R6独立选择自H、Me、Et、Pr、Bn)、-CO-NR5-CH2-CO-NR6-、-CO-O-、-CH2-CH2-、-CH=CH-、CH2-NR6-或键; Q为R7V或(a)其中R7为-CH2-; -CH2-; 或(b) R7和R6与R6所连接的氮原子一起形成一个被V取代的哌啶或吡咯烷环; V为-CO-NH-SO2-Ph、-SO2-NH-CO-Ph、CH2OH或一个公式为-R8U的基团(其中U为-COOH、四唑基、-CONHOH-或-SO3H; R8为键; C1至C6烃基亚亚甲基，可选择地被羟基、氨基或乙酰氨基取代; -O-(C1至C3烷基)-; -SO2NR9-CHR10-; -CO-NR9CHR10-，其中R9和R10独立选择自H和甲基; 或-NH-(CO)c-CH2-，其中c为0或1); m为1或2; q为0至2，但当Z为键时，q为1或2。还描述了包含化合物(I)或(II)的组成物。

  公开号：

  US20030195237A1

文献信息

• US7105558B2
  申请人：——

  公开号：US7105558B2

  公开（公告）日：2006-09-12
• [EN] GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS (IV)<br/>[FR] LIGANDS (IV) DU RÉCEPTEUR DE LA GASTRINE ET DE LA CHOLECYSTOKININE
  申请人：BLACK JAMES FOUNDATION

  公开号：WO2001085704A1

  公开（公告）日：2001-11-15

  Compounds of the formula (I) or (II) and their pharmaceutically acceptable salts are ligands at gastrin and/or cholecystokinin receptors. n is from 1 to 4; R4 is C1 to C15 hydrocarbyl wherein up to two C atoms may optionally be replaced by N, O and/or S atoms and up to three H atoms may optionally be replaced by halogen atoms; Z is -(NR5)a-CO-(NR6)b-(wherein a is 0 or 1, b is 0 or 1, and R?5 and R6¿ are independently selected from H, Me, Et, Pr, Bn), -CO-NR5-CH2-CO-NR6-, -CO-O-, -CH¿2?-CH2-, -CH=CH-, CH2-NR?6¿- or a bond; Q is R7V,or(a) wherein R7 is -CH¿2?-; -CH2-; or(b) R?7 and R6¿, together with the nitrogen atom to which R6 is attached, form a piperidine or pyrrolidine ring which is substituted by V; V is -CO-NH-SO¿2?-Ph, -SO2-NH-CO-Ph, CH2OH, or a group of the formula -R?8¿U, (wherein U is -COOH, tetrazolyl, -CONHOH- or - SO¿3?H; and R?8¿ is a bond; C¿1? to C6 hydrocarbylene, optionally substituted by hydroxy, amino or acetamino; -O-(C1 to C3 alkylene)-; -SO2NR?9-CHR10¿-; -CO-NR?9-CHR10-, R9 and R10¿ being independently selected from H and methyl; or -NH-(CO)¿c?-CH2-, c being 0 or 1); m is 1 or 2; q is from 0 to 2, with the proviso that q is 1 or 2 when Z is a bond); Compositions comprising a compound of formula (I) or (II) are also described.
• [EN] PYRIMIDINE DERIVATIVES<br/>[FR] DÉRIVÉS DE LA PYRIMIDINE
  申请人：BLACK JAMES FOUNDATION

  公开号：WO2008009963A2

  公开（公告）日：2008-01-24

  [EN] The present invention is concerned with pyrimidine derivatives, their intermediates, uses thereof and processes for their production. In particular, the present invention relates to parathyroid hormone (PTH) and parathyroid hormone related protein (PTHrp) receptor ligands, (PTH-I or PTH/PTHrp receptor ligands). The invention also relates to methods of preparing such ligands and to compounds which are useful as intermediates in such methods.
  [FR] Cette invention concerne des dérivés de la pyrimidine, leurs intermédiaires, leurs utilisations, ainsi que des procédés de production associés. Cette invention concerne en particulier l'hormone parathyroïde (PTH) et des ligands du récepteur de la protéine associée à l'hormone parathyroïde (PTHrp) (PTH-1 ou ligands du récepteur de la PTH/PTHrp). Cette invention concerne également des méthodes de préparation de ces ligands ainsi que des composés utilisés comme intermédiaires dans ces méthodes.
• Gastrin and cholecystokinin receptor lignads (iv)
  申请人：——

  公开号：US20030195237A1

  公开（公告）日：2003-10-16

  1 Compounds of the formula (I) or (II) and their pharmaceutically acceptable salts are ligands at gastrin and/or chole-cystokinin receptors. n is from 1 to 4; R 4 is C 1 to C 15 hydrocarbyl wherein up to two C atoms may optionally be replaced by N, O and/or S atoms and up to three H atoms may optionally be replaced by halogen atoms; Z is —(NR 5 ) a —CO—(NR 6 ) b -(wherein a is 0 or 1, b is 0 or 1, and R 5 and R 6 are independently selected from H, Me, Et, Pr, Bn), —CO—NR 5 —CH 2 —CO—NR 6 —, —CO—O—, —CH 2 —CH 2 —, —CH═CH—, CH 2 —NR 6 — or a bond; Q is R 7 V, or(a) wherein R 7 is —CH 2 —; —CH 2 —; or(b) R 7 and R 6 , together with the nitrogen atom to which R 6 is attached, form a piperidine or pyrrolidine ring which is substituted by V; V is —CO—NH—SO 2 —Ph, —SO 2 —NH—CO—Ph, CH 2 OH, or a group of the formula —R 8 U, (wherein U is —COOH, tetrazolyl, —CONHOH— or —SO 3 H; and R 8 is a bond; C 1 to C 6 hydrocarbylene, optionally substituted by hydroxy, amino or acetamino; —O-(C 1 to C 3 alkylene)-; —SO 2 NR 9 —CHR 10 —; —CO—NR 9 CHR 10 —, R 9 and R 10 being independently selected from H and methyl; or —NH—(CO) c —CH 2 —, c being 0 or 1); m is 1 or 2; q is from 0 to 2, with the proviso that q is 1 or 2 when Z is a bond); Compositions comprising a compound of formula (I) or (II) are also described.

  化合物(I)或(II)的配方及其药学上可接受的盐是胃泌素和/或胆囊肽受体的配体。其中n为1至4; R4为C1至C15烃基，其中最多可有两个C原子被N、O和/或S原子替换，最多可有三个H原子被卤素原子替换; Z为-(NR5)a-CO-(NR6)b-(其中a为0或1，b为0或1，R5和R6独立选择自H、Me、Et、Pr、Bn)、-CO-NR5-CH2-CO-NR6-、-CO-O-、-CH2-CH2-、-CH=CH-、CH2-NR6-或键; Q为R7V或(a)其中R7为-CH2-; -CH2-; 或(b) R7和R6与R6所连接的氮原子一起形成一个被V取代的哌啶或吡咯烷环; V为-CO-NH-SO2-Ph、-SO2-NH-CO-Ph、CH2OH或一个公式为-R8U的基团(其中U为-COOH、四唑基、-CONHOH-或-SO3H; R8为键; C1至C6烃基亚亚甲基，可选择地被羟基、氨基或乙酰氨基取代; -O-(C1至C3烷基)-; -SO2NR9-CHR10-; -CO-NR9CHR10-，其中R9和R10独立选择自H和甲基; 或-NH-(CO)c-CH2-，其中c为0或1); m为1或2; q为0至2，但当Z为键时，q为1或2。还描述了包含化合物(I)或(II)的组成物。