5-[2-(3,4-Dimethoxy-phenyl)-ethylcarbamoyl]-pentanoic acid | 7574-86-9

• 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: 5-[2-(3,4-Dimethoxy-phenyl)-ethylcarbamoyl]-pentanoic acid
• 英文别名: 6-[2-(3,4-Dimethoxyphenyl)ethylamino]-6-oxohexanoic acid
• CAS: 7574-86-9
• 化学式: C₁₆H₂₃NO₅
• 分子量: 309.362
• InChiKey: QTBANYVVJXZPQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  22
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  84.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-[2-(3,4-Dimethoxy-phenyl)-ethylcarbamoyl]-pentanoic acid 、 1-<¹⁴C>-2-Phenyl-aethylamin 生成 N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-phenyl(114C)ethyl)hexanediamide
  参考文献：
  名称：

  WILKINSON, D. J.;LOCKLEY, W. J. S., J. LABELL. COMPOUNDS AND RADIOPHARM., 24,(1987) N 12, 1445-1454

  摘要：

  DOI：

文献信息

• Substituted 3,4-dihydroxy-phenylethylamino compounds
  申请人：Fisons, plc

  公开号：US04720586A1

  公开（公告）日：1988-01-19

  There are provided compounds of formula I, ##STR1## in which R.sub.1 represents OH, R.sub.2 and R.sub.3, which may be the same or different, each independently represent hydrogen, fluorine, chlorine, bromine, alkyl C1 to 6, nitro, nitrile, (CH.sub.2).sub.p R.sub.9 or SR.sub.9, W represents a single bond, a 1,2; 1,3; or 1,4-disubstituted benzene ring; a --CH.dbd.CH--group or a 1,4-cyclohexanediyl group; X respresents NH, O, S, SO.sub.2, CO, CH.sub.2, CONH or --COO; Y represents (CH.sub.2)q, CO, CS, SO.sub.2 and R.sub.20 represents hydrogen, or Y represents CR.sub.15 R.sub.16 CR.sub.17 R.sub.18, wherein the carbon atom bearing R.sub.15 and R.sub.16 is adjacent to X and in which R.sub.15 and R.sub.18, together with the carbon atom to which they are attached form a carbonyl group, and R.sub.15, R.sub.16 and R.sub.20 each represent hydrogen, or R.sub.15 and R.sub.20 together form a chain --CH.sub.2 --, and R.sub.16, R.sub.17 and R.sub.18 each represent hydrogen, or R.sub.15, R.sub.16, R.sub.17 and R.sub.18 each independently represent hydrogen or alkyl C1 to 6 and R.sub.20 represents hydrogen; Z represents a single bond, NR.sub.19, CH.sub.2, O, CO, S or SO.sub.2, in which R.sub.19 represents hydrogen or alkyl C1 to 6; n, and m each independently represent an integer from 1 to 4 inclusive; q represents an integer from 1 to 3 inclusive; p represents 0 or an integer from 1 to 3 inclusive; R.sub.9 represents phenyl or phenyl substituted by hydroxy, and R.sub.10 represents hydrogen or chlorine, provided that (i) when R.sub.1 represents --OH, R.sub.2 and R.sub.3 both represent hydrogen, X represents NH, Y represents (CH.sub.2).sub.q, Z represents a single bond and R.sub.20 represents hydrogen, W does not represent a single bond; (ii) when R.sub.1 represents --OH, R.sub.2 and R.sub.3 both represent hydrogen, W represents a single bond, X represents NH and Z represents a single bond, then at least one of R.sub.15, R.sub.16, R.sub.17 and R.sub.18 is alkyl C1 to 6; (iii) when X represents SO.sub.2, CO, COO or CONH, then Y does not represent CO, CS or SO.sub.2 ; (iv) when Y represents CO, CS or SO.sub.2, then Z does not represent CO or SO.sub.2, and pharmaceutically acceptable derivatives thereof. There are also described the use of the compounds of formula I as pharmaceuticals, methods for making the compounds and pharmaceutical, e.g. cardiac, compositions containing the compounds.

  提供了化合物I的公式，其中R.sub.1代表OH，R.sub.2和R.sub.3可以相同或不同，各自独立地代表氢，氟，氯，溴，烷基C1至6，硝基，腈基，（CH.sub.2）.sub.pR.sub.9或SR.sub.9，W代表单键，1,2; 1,3;或1,4-二取代苯环；-CH.dbd.CH-基团或1,4-环己基基团；X代表NH，O，S，SO.sub.2，CO，CH.sub.2，CONH或-COO；Y代表（CH.sub.2）q，CO，CS，SO.sub.2和R.sub.20代表氢，或Y代表CR.sub.15 R.sub.16 CR.sub.17 R.sub.18，其中带有R.sub.15和R.sub.16的碳原子邻接X，且R.sub.15和R.sub.18与它们附着的碳原子一起形成羰基基团，且R.sub.15，R.sub.16和R.sub.20各代表氢，或R.sub.15和R.sub.20一起形成链-CH.sub.2-，R.sub.16，R.sub.17和R.sub.18各代表氢，或R.sub.15，R.sub.16，R.sub.17和R.sub.18各自独立地代表氢或烷基C1至6，R.sub.20代表氢；Z代表单键，NR.sub.19，CH.sub.2，O，CO，S或SO.sub.2，其中R.sub.19代表氢或烷基C1至6；n和m各自独立地代表从1到4的整数，包括1和4；q代表从1到3的整数；p代表0或从1到3的整数；R.sub.9代表苯基或被羟基取代的苯基，R.sub.10代表氢或氯，但是当R.sub.1代表-OH时，R.sub.2和R.sub.3都代表氢，X代表NH，Y代表（CH.sub.2）.sub.q，Z代表单键，R.sub.20代表氢时，W不代表单键；当R.sub.1代表-OH时，R.sub.2和R.sub.3都代表氢，W代表单键，X代表NH，Z代表单键时，至少有一个R.sub.15，R.sub.16，R.sub.17和R.sub.18是烷基C1至6；当X代表SO.sub.2，CO，COO或CONH时，Y不代表CO，CS或SO.sub.2；当Y代表CO，CS或SO.sub.2时，Z不代表CO或SO.sub.2，且其药学上可接受的衍生物。还描述了将公式I的化合物用作制药物的用途，制备化合物和制药，例如心脏，含有化合物的组合物。
• Dihydroxy-phenethylamino compounds useful as pharmaceuticals
  申请人：Fisons, plc

  公开号：US04803225A1

  公开（公告）日：1989-02-07

  There are provided compounds of formula I, ##STR1## and pharmaceutically acceptable derivatives thereof. There are also described the use of the compounds of formula I as pharmaceuticals, methods for making the compounds and pharmaceutical, e.g. cardiac, compositions containing the compounds.

  提供了公式I的化合物，##STR1##以及其药学上可接受的衍生物。还描述了公式I化合物作为药物的用途，制备化合物和制药方法，例如含有这些化合物的制药，如心脏组成物。
• 3,4-Dihydroxyphenylethylamine derivatives and their use
  申请人：Fisons plc

  公开号：US04885313A1

  公开（公告）日：1989-12-05

  Novel 3,4-dihydroxyphenylethylamine derivatives possess dopaminergic activity in animals and are therefore useful in the treatment of iner alia congestive heart failure, renal failure and reversible obstructive airways disease. The compounds are generally administered in the form of a pharmaceutical composition comprising the active ingredient in admixture with a pharmaceutically acceptable adjuvant, diluent or carrier.

  小说3,4-二羟基苯乙胺衍生物具有动物多巴胺活性，因此在治疗充血性心力衰竭、肾功能衰竭和可逆性阻塞性气道疾病方面非常有用。这些化合物通常以药物组成物的形式给予，其中包括与药理学上可接受的辅料、稀释剂或载体混合的活性成分。
• Phenylethylamines, process for their preparation and compositions containing them
  申请人：FISONS plc

  公开号：EP0142283A2

  公开（公告）日：1985-05-22

  There are described compounds ofiformula I, in which R, represents OH, NR11R12, CH2R12 or fluorine, R2, R3, R11, R12 and R2, have various meanings as defined herein for example R2 and R3 may represent hydrogen, halogen, alkyl C1 to 6 or nitro; W represents a single bond, a disubstituted benzene or a 1,4-cyclohexanediyl group, X represents NH, 0, S, SO2, CO, CH2, CONH or-COO; Y, amongst other meanings defined herein, represents (CH2)q, CO, CS and SO2, Z represents a single bond, NR19, CH2, O, CO, S or SO2, in which R10 represents hydrogen or alkyl C1 to 6, n and m each independently represent an integer from 1 to 4 inclusive, q represents an integer from 1 to 3 inclusive, p represents 0 or an integer from 1 to 3 inclusive, R10 represents hydrogen or chlorine, R20, amongst other meanings defined herein may represent hydrogen, with four provises as defined herein, and pharmaceutically acceptable derivatives thereof. There are also described the use of the compounds of formula 1 as pharmaceuticals, methods for making the compounds and pharmaceutical, e.g. cardiac, compositions containing the compounds.

  描述了芴甲氧羰基化合物 I、 其中 R 代表 OH、NR11R12、CH2R12 或氟、 R2、R3、R11、R12 和 R2 具有本文所定义的各种含义，例如 R2 和 R3 可代表氢、卤素、C1-6 烷基或硝基； W 代表单键、二取代苯或 1,4-环己二基、 X 代表 NH、0、S、SO2、CO、CH2、CONH 或-COO； 除本文定义的其他含义外，Y 代表 (CH2)q、CO、CS 和 SO2、 Z 代表单键、NR19、CH2、O、CO、S 或 SO2，其中 R10 代表氢或 C1-6 烷基、 n 和 m 各自独立地代表 1 至 4（含 4）的整数、 q 代表 1 至 3（包括 3）的整数、 p 代表 0 或 1 至 3（包括 3）的整数、 R10 代表氢或氯、 R20，除本文定义的其他含义外，可代表氢，以及本文定义的四个前缀，及其药学上可接受的衍生物。 此外，还描述了式 1 化合物作为药物的用途、制造该化合物的方法以及含有该化合物的药物组合物，如心脏病组合物。
• WILKINSON, D. J.;LOCKLEY, W. J. S., J. LABELL. COMPOUNDS AND RADIOPHARM., 24,(1987) N 12, 1445-1454
  作者：WILKINSON, D. J.、LOCKLEY, W. J. S.

  DOI：——

  日期：——