(R)-3-(2-(acetoxymethyl)-4-amino-3-methylphenyl)-1-methoxy-1-oxopropan-2-yl benzoate | 912463-03-7

• 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: (R)-3-(2-(acetoxymethyl)-4-amino-3-methylphenyl)-1-methoxy-1-oxopropan-2-yl benzoate
• 英文别名: [(2R)-3-[2-(acetyloxymethyl)-4-amino-3-methylphenyl]-1-methoxy-1-oxopropan-2-yl] benzoate
• CAS: 912463-03-7
• 化学式: C₂₁H₂₃NO₆
• 分子量: 385.417
• InChiKey: WKFOTPNKVANMMO-LJQANCHMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  28
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  105
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (R)-3-(2-(acetoxymethyl)-4-amino-3-methylphenyl)-1-methoxy-1-oxopropan-2-yl benzoate 在 N-氯代丁二酰亚胺 作用下， 以 乙腈 为溶剂， 反应 0.03h， 以57%的产率得到(R)-3-(2-(acetoxymethyl)-4-amino-5-chloro-3-methylphenyl)-1-methoxy-1-oxopropan-2-yl benzoate
  参考文献：
  名称：

  CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS

  摘要：

  本发明包括受约束的双环和三环CGRP受体拮抗剂，识别它们的方法，包含它们的药物组合物，以及它们在治疗偏头痛和其他头痛、神经源性血管扩张、神经性炎症、热损伤、循环性休克、与更年期相关的潮红、气道炎症性疾病（如哮喘和慢性阻塞性肺病（COPD））中的用途，以及其他可以通过CGRP受体拮抗剂治疗的疾病。

  公开号：

  US20070259851A1
• 作为产物：
  描述：

  (R)-3-(2-(acetoxymethyl)-4-(tert-butoxycarbonylamino)-3-methylphenyl)-1-methoxy-1-oxopropan-2-yl benzoate 在 三氟乙酸 、 碳酸氢钠 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 4.0h， 以97%的产率得到(R)-3-(2-(acetoxymethyl)-4-amino-3-methylphenyl)-1-methoxy-1-oxopropan-2-yl benzoate
  参考文献：
  名称：

  CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS

  摘要：

  本发明包括受约束的双环和三环CGRP受体拮抗剂，识别它们的方法，包含它们的药物组合物，以及它们在治疗偏头痛和其他头痛、神经源性血管扩张、神经性炎症、热损伤、循环性休克、与更年期相关的潮红、气道炎症性疾病（如哮喘和慢性阻塞性肺病（COPD））中的用途，以及其他可以通过CGRP受体拮抗剂治疗的疾病。

  公开号：

  US20070259851A1

文献信息

• Novel piperazine derivatives
  申请人：——

  公开号：US20020143020A1

  公开（公告）日：2002-10-03

  The present invention is a chemical compound of formula (I) 1 or a pharmaceutically acceptable salts, solvates and esters thereof, wherein R 1 to R 4 , A 1 , A 2 m and n are as described in the specification.

  本发明是一种具有公式(I)的化学化合物 1 或其药物可接受的盐、溶剂化物和酯，其中R 1 至R 4 ，A 1 ，A 2 ，m和n如说明书中所述。
• [EN] TRIAZOLO[4,5-d] PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS<br/>[FR] DERIVES DE TRIAZOLO[4,5-D] PYRIMIDINE ET LEUR UTILISATION EN TANT QU'AGONISTES DE RECEPTEUR PURINERGIQUE
  申请人：VERNALIS RES LTD

  公开号：WO2002055083A1

  公开（公告）日：2002-07-18

  The use of a compound of formula (I): wherein R1 is selected from H, alkyl, aryl, alkoxy, aryloxy, alkylthio, arylthio, halogen, CN, NR5R6, NR4COR5, NR4CONR5R6,NR4CO2R7 and NR4SO2R7; R2 is selected from aryl attached via an unsaturated carbon; R3 is selected from H, alkyl, COR5, CO2 R7, CONR5R6, CONR4NR5R6 and SO2R7; R4, R5 and R6 are independently selected from H, alkyl and aryl or where R5 and R6 are in an NR5R6 group, R5 and R6 may be linked to form a heterocyclic group, or where R4,R5 and R6 are in a (CONR4NR5R6) group, R4 and R5 may be linked to form a heterocyclic group; and R7 is selected from alkyl and aryl, or a pharmaceutically acceptable salt thereof or prodrug thereof, in the treatment or prevention of a disorder in which the blocking of purine receptors, particularly adenosine receptors and more particularly A2A receptors, may be beneficial, particularly wherein said disorder is a movement disorder such as Parkinson's disease or said disorder is depression, cognitive or memory impairment, acute or chronic pain, ADHD or narcolepsy, or for neuroprotection in a subject; compounds of formula (I) for use in therapy; and novel compounds of formula (I) per se.

  使用式(I)的化合物，其中R1从H，烷基，芳基，烷氧基，芳氧基，烷硫基，芳硫基，卤素，CN，NR5R6，NR4COR5，NR4CONR5R6，NR4CO2R7和NR4SO2R7中选择；R2从通过不饱和碳连接的芳基中选择；R3从H，烷基，COR5，CO2R7，CONR5R6，CONR4NR5R6和SO2R7中选择；R4，R5和R6独立地从H，烷基和芳基中选择，或者当R5和R6在NR5R6基团中时，R5和R6可以连接形成杂环基团，或者当R4，R5和R6在(CONR4NR5R6)基团中时，R4和R5可以连接形成杂环基团；R7从烷基和芳基中选择，或其药学上可接受的盐或前药，在治疗或预防阻断嘌呤受体，特别是腺苷受体，更具体地是A2A受体可能有益的疾病中使用，特别是其中所述疾病是运动障碍，如帕金森病，或所述疾病是抑郁症，认知或记忆障碍，急性或慢性疼痛，ADHD或嗜睡症，或用于保护神经系统。式(I)的化合物用于治疗；以及式(I)的新化合物本身。
• Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists
  申请人：——

  公开号：US20040097526A1

  公开（公告）日：2004-05-20

  The use of a compound of formula (1): wherein R 1 is selected from H, alkyl, aryl, alkoxy, aryloxy, alkylthio, arylthio, halogen, CN, NR 5 R 6 , NR 4 CONR 5 R 6 , NR 4 CONR 5 R 6 NR 4 CO 2 R 7 and NR 4 SO 2 R 7 ; R 2 is selected from aryl attached via an unsaturated carbon; R 3 is selected from H, alkyl, COR 5 , CO 2 R 7 , CONR 5 R 6 , CONR 4 NR 5 R 6 and SO 2 R 7 ; R 4 , R 5 and R 6 are independently selected from H, alkyl and aryl or where R 5 and R 6 are in an NR 5 R 6 group, R 5 and R 6 may be linked to form a heterocyclic group, or where R 4 ,R 5 and R 6 are in a (CONR 4 NR 5 R 6 ) group, R 4 and R 5 may be linked to form a heterocyclic group; and R 7 is selected from alkyl and aryl, or a pharmaceutically acceptable salt thereof or prodrug thereof, in the treatment or prevention of a disorder in which the blocking of purine receptors, particularly adenosine receptors and more particularly A 2A receptors, may be beneficial, particularly wherein said disorder is a movement disorder such as Parkinson's disease or said disorder is depression, cognitive or memory impairment, acute or chronic pain, ADHD or narcolepsy, or for neuroprotection in a subject; compounds of formula (I) for use in therapy; and novel compounds of formula (I) per se. 1

  使用式（1）的化合物：其中R1选自H，烷基，芳基，烷氧基，芳氧基，烷硫基，芳硫基，卤素，CN，NR5R6，NR4CONR5R6，NR4CONR5R6NR4CO2R7和NR4SO2R7；R2选自通过不饱和碳连接的芳基；R3选自H，烷基，COR5，CO2R7，CONR5R6，CONR4NR5R6和SO2R7；R4，R5和R6独立地选自H，烷基和芳基，或者当R5和R6在NR5R6组中时，R5和R6可以连接形成杂环基团，或者当R4，R5和R6在（CONR4NR5R6）组中时，R4和R5可以连接形成杂环基团；以及R7选自烷基和芳基，或其药学上可接受的盐或前药，用于治疗或预防阻断嘌呤受体，特别是腺苷受体，尤其是A2A受体，可能有益的疾病，特别是该疾病为运动障碍，如帕金森病，或该疾病为抑郁症，认知或记忆障碍，急性或慢性疼痛，ADHD或嗜睡症，或用于主体的神经保护；式（I）的化合物用于治疗；以及式（I）的新化合物本身。
• Constrained compounds as CGRP-receptor antagonists
  申请人：Chaturvedula V. Prasad

  公开号：US20060229447A1

  公开（公告）日：2006-10-12

  The invention encompasses constrained bicyclic and tricyclic CGRP-receptor antagonists, methods for identifying them, pharmaceutical compositions comprising them, and methods for their use in therapy for treatment of migraine and other headaches, neurogenic vasodilation, neurogenic inflammation, thermal injury, circulatory shock, flushing associated with menopause, airway inflammatory diseases, such as asthma and chronic obstructive pulmonary disease (COPD), and other conditions the treatment of which can be effected by the antagonism of CGRP-receptors.

  这项发明涵盖了受限制的双环和三环CGRP受体拮抗剂，其鉴定方法，包含它们的药物组合物，以及它们在治疗偏头痛和其他头痛、神经源性血管扩张、神经源性炎症、热损伤、循环休克、与绝经期相关的潮红、气道炎症性疾病（如哮喘和慢性阻塞性肺病（COPD））以及其他可以通过CGRP受体拮抗来治疗的疾病的治疗方法。
• Triazolo[4,5-d] pyramidine derivatives and their use as purinergic receptor antagonists
  申请人：Gillespie Roger John

  公开号：US20080234296A1

  公开（公告）日：2008-09-25

  The use of a compound of formula (I): wherein R 1 is selected from H, alkyl, aryl, alkoxy, aryloxy, alkylthio, arylthio, halogen, CN, NR 5 R 6 , NR 4 COR 5 , NR 4 CONR 5 R 6 , NR 4 CO 2 R 7 and NR 4 SO 2 R 7 ; R 2 is selected from aryl attached via an unsaturated carbon; R 3 is selected from H, alkyl, COR 5 , CO 2 R 7 , CONR 5 R 6 , CONR 4 NR 5 R 6 and SO 2 R 7 ; R 4 , R 5 and R 6 are independently selected from H, alkyl and aryl or where R 5 and R 6 are in an NR 5 R 6 group, R 5 and R 6 may be linked to form a heterocyclic group, or where R 4 , R 5 and R 6 are in a (CONR 4 NR 5 R 6 ) group, R 4 and R 5 may be linked to form a heterocyclic group; and R 7 is selected from alkyl and aryl, or a pharmaceutically acceptable salt thereof or prodrug thereof, in the treatment or prevention of a disorder in which the blocking of purine receptors, particularly adenosine receptors and more particularly A 2A receptors, may be beneficial, particularly wherein said disorder is a movement disorder such as Parkinson's disease or said disorder is depression, cognitive or memory impairment, acute or chronic pain, ADHD or narcolepsy, or for neuroprotection in a subject; compounds of formula (I) for use in therapy; and novel compounds of formula (I) per se.

  使用公式（I）的化合物，其中R1从H，烷基，芳基，烷氧基，芳氧基，烷硫基，芳硫基，卤素，CN，NR5R6，NR4COR5，NR4CONR5R6，NR4CO2R7和NR4SO2R7中选择；R2从通过不饱和碳连接的芳基中选择；R3从H，烷基，COR5，CO2R7，CONR5R6，CONR4NR5R6和SO2R7中选择；R4，R5和R6分别从H，烷基和芳基中选择，或者当R5和R6在NR5R6中时，它们可以连接形成杂环基团，或者当R4，R5和R6在（CONR4NR5R6）基团中时，R4和R5可以连接形成杂环基团；并且R7从烷基和芳基中选择，或其药学上可接受的盐或前药，在治疗或预防阻断嘌呤受体，特别是腺苷受体，尤其是A2A受体可能有益的疾病中使用，特别是其中所述的疾病是运动障碍，如帕金森病，或所述的疾病是抑郁症，认知或记忆障碍，急性或慢性疼痛，注意力缺陷多动障碍或嗜睡症，或用于保护神经系统。公式（I）的化合物用于治疗；以及公式（I）的新型化合物本身。