L 97-1 | 770703-20-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: L 97-1
• 英文别名: 3-[2-(4-aminophenyl)-ethyl]-8-benzyl-7-{2-[ethyl-(2-hydroxyethyl)-amino]-ethyl}-1-propyl-3,7-dihydropurine-2,6-dione；3-[2-(4-aminophenyl)ethyl]-8-benzyl-7-{2-[ethyl-(2-hydroxyethyl)amino]ethyl}-1-propyl-1,2,3,6-tetrahydropurine-2,6-dione；3-(2-(4-Aminophenyl)ethyl)-8-benzyl-7-(2-(ethyl(2-hydroxyethyl)amino)ethyl)-1-propylxanthine；3-[2-(4-aminophenyl)ethyl]-8-benzyl-7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1-propylpurine-2,6-dione
• CAS: 770703-20-3
• 化学式: C₂₉H₃₈N₆O₃
• 分子量: 518.659
• InChiKey: QVEHDKFBFDUCEZ-UHFFFAOYSA-N

物化性质

• 沸点：
  761.3±70.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  38
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  108
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  L 97-1 、 1-羟基-2-萘甲酸 以 水 为溶剂， 反应 24.0h， 生成 L-97-1 0.5 xinafoic acid salt
  参考文献：
  名称：

  Compositions and methods for treating respiratory disorders

  摘要：

  本发明提供了用于治疗和预防呼吸系统疾病的方法和组合物。该发明的方法包括向受试者施用治疗有效量的药用可接受的A1腺苷受体拮抗剂的盐，特别是1-羟基-2-萘甲酸盐或3-羟基-2-萘甲酸盐，更特别是3-[2-(4-氨基苯基)乙基]-8-苄基-7-{2-[乙基-(2-羟乙基)氨基]乙基}-1-丙基-3,7-二氢嘌呤-2,6-二酮（即L-97-1辛甲酸盐）。此外，本发明还提供了所述A1腺苷受体拮抗剂盐的水合物。本发明还涵盖了包含药用可接受的A1腺苷受体拮抗剂盐的药物组合物，该药物组合物包含药用可接受的载体。本发明的组合物可用于治疗和预防呼吸系统疾病的方法中。

  公开号：

  US20070219223A1

文献信息

• A1 adenosine receptor antagonists
  申请人：Wilson N. Constance

  公开号：US20050187226A1

  公开（公告）日：2005-08-25

  The present invention provides novel adenosine receptor antagonists, more particularly, A 1 adenosine receptor antagonists. Pharmaceutical compositions comprising an A 1 adenosine receptor antagonist disclosed herein and a pharmaceutically acceptable carrier are further provided. Compositions also include diagnostic assay-type probes comprising a novel A 1 adenosine receptor antagonist that is labeled or conjugated with radioactive or non-radioactive material. Methods for treating A 1 adenosine receptor related disorders comprising administering an A 1 adenosine receptor antagonist of the invention are also disclosed. The novel A 1 adenosine receptor antagonist compositions find further use in diagnostic and imaging methods.

  本发明提供了新型腺苷受体拮抗剂，特别是A1腺苷受体拮抗剂。此外，还提供包含本文所披露的A1腺苷受体拮抗剂和药学上可接受的载体的制药组合物。组合物还包括诊断检测型探针，其中包含一种新型A1腺苷受体拮抗剂，该拮抗剂被标记或与放射性或非放射性物质结合。本发明还披露了通过给予本发明的A1腺苷受体拮抗剂来治疗A1腺苷受体相关疾病的方法。新型A1腺苷受体拮抗剂组合物还可用于诊断和成像方法。
• A1 ADENOSINE RECEPTOR ANTAGONISTS
  申请人：Wilson N. Constance

  公开号：US20070282105A1

  公开（公告）日：2007-12-06

  wherein R 3 is Alk 14 ArR 16 , and wherein Alk 14 is C 1-8 straight or branched alkylene or alkenylene. The present invention provides novel adenosine receptor antagonists, more particularly, A 1 adenosine receptor antagonists of formula (I). Pharmaceutical compositions comprising an A 1 adenosine receptor antagonist of formula (I) and a pharmaceutically acceptable carrier are further provided. Compositions also include diagnostic assay-type probes comprising a novel A 1 adenosine receptor antagonist of formula (I) that is labeled or conjugated with radioactive or non-radioactive material. Methods for treating A 1 adenosine receptor related disorders comprising administering an A 1 adenosine receptor antagonist of formula (I) are also disclosed. The novel A 1 adenosine receptor antagonist compositions of formula (I) find further use in diagnostic and imaging methods.

  本发明提供了一种新型的腺苷受体拮抗剂，更具体地说，是式（I）的A1腺苷受体拮抗剂，其中R3为Alk14ArR16，Alk14为C1-8直链或支链烷基或烯基。还提供了包含式（I）的A1腺苷受体拮抗剂及其药用载体的制药组合物。组合物还包括诊断性检测探针，其中包含一种新型的标记或与放射性或非放射性物质结合的式（I）的A1腺苷受体拮抗剂。还揭示了通过给予式（I）的A1腺苷受体拮抗剂治疗A1腺苷受体相关疾病的方法。式（I）的新型A1腺苷受体拮抗剂组合物在诊断和成像方法中找到了进一步的应用。
• A1 Adenosine Receptor Antagonists
  申请人：Wilson Neely Constance

  公开号：US20070274910A1

  公开（公告）日：2007-11-29

  This invention relates to compounds of formula (I): wherein R 1 is a branched or straight chain C 1 -C 6 alkyl; R 2 is of the formula (II), wherein n is an integer ranging from 1 to 8; R 5 is H or (CH 2 ) p CH 3 , and R 6 is H or (CH 2 ) m OH, wherein p is an integer ranging from 1 to 7 and m is an integer ranging from 1 to 8; R 3 is of the formula (III), wherein q is an integer ranging from 1 to 8; and R 7 is selected from the group consisting of H, OH, NH 2 , (CH 2 ) t OH, and R 9 COOH; wherein R 9 is a straight or branched chain alkylene or alkenylene group having 1 to 8 carbon atoms, and t is an integer ranging from 1 to 8; R 4 is of the formula (IV), wherein r is an integer ranging from 1 to 8 and R 8 is selected from the group consisting of H, OH, (CH 2 ) f NH 2 , (CH 2 ) s OH, and R 10 COOH; wherein f is 0 or f and s are independently integers ranging from 1 to 8; and, R 10 is a C 1 -C 8 straight or branched chain alkylene or alkenylene; and; salts, solvates, and hydrates thereof. The present invention further provides methods of preparing the compounds of formula (I) and their use as therapeutic agents and diagnostic agents.

  本发明涉及公式（I）的化合物：其中R1是支链或直链C1-C6烷基；R2是公式（II）中的，其中n为1至8的整数；R5为H或（CH2）pCH3，R6为H或（CH2）mOH，其中p为1至7的整数，m为1至8的整数；R3为公式（III）中的，其中q为1至8的整数；R7选自H、OH、NH2、（CH2）tOH和R9COOH的群，其中R9是具有1至8个碳原子的直链或支链烷基或烯基，t为1至8的整数；R4为公式（IV）中的，其中r为1至8的整数，R8选自H、OH、（CH2）fNH2、（CH2）sOH和R10COOH的群，其中f为0或f和s分别为1至8的整数；R10是C1-C8直链或支链烷基或烯基；以及其盐、溶剂合物和水合物。本发明还提供了制备公式（I）化合物的方法以及它们作为治疗剂和诊断剂的用途。
• A1 ADENOSINE RECEPTOR DIAGNOSTIC PROBES
  申请人：Wilson Constance N.

  公开号：US20110282031A1

  公开（公告）日：2011-11-17

  This invention relates to a diagnostic probe comprising a compound of formula (I): such as 3-[2-[4-(5-aminopentyl-3-amidocarboxypropanoyl)]aminophenyl]ethyl]-8-benzyl-7-[2-ethyl(2-hydroxyethyl)amino]ethyl-1-propylxanthine, with one or more label moieties attached thereto. The compounds of the present invention are useful as diagnostic probes, including probes for diagnostic assays and imaging. Accordingly, the invention provides A 1 adenosine receptor antagonist compounds with radioactive or non-radioactive labels suitable for executing such assays and imaging measurements. Labeled compounds are useful to obtain quantitative measurements of the A 1 adenosine receptor antagonist compounds. They may be employed as an imaging agent in diagnostic procedures such as MRI and PET as well as cell or receptor based assays.

  本发明涉及一种诊断探针，包括式(I)的化合物： 3-[2-[4-(5-氨基戊基-3-酰胺羧基丙酰基)]氨基苯基]乙基-8-苯甲基-7-[2-乙基(2-羟乙基)氨基]乙基-1-丙基黄嘌呤，其中附有一个或多个标签基团。本发明的化合物可用作诊断探针，包括用于诊断分析和成像的探针。因此，本发明提供了带有放射性或非放射性标签的A1腺苷受体拮抗剂化合物，适用于执行此类分析和成像测量。标记化合物有助于获得A1腺苷受体拮抗剂化合物的定量测量。它们可以作为成像剂在诊断程序中使用，如MRI和PET，以及细胞或受体基础的分析。
• A1 adenosine receptor antagonist for preventing and treating tissue injury and sepsis associated with yersinia pestis infection
  申请人：Endacea, Inc.

  公开号：EP2036562A1

  公开（公告）日：2009-03-18

  Methods for treating and preventing tissue injury and sepsis associated with a Yersinia pestis infection, particularly pneumonic plague, are provided. The methods of the invention comprise administering to a subject a therapeutically effective amount of an A1 adenosine receptor antagonist alone or in combination with at least one additional therapeutic agent, including an antibiotic agent. The present methods find use in biodefense as a means of preventing and treating tissue injury and sepsis associated with Y. pestis infection, particularly pneumonic plague, in the event of a bioterrorist attack with this deadly bacterium.

  本发明提供了治疗和预防与鼠疫耶尔森菌感染，特别是肺鼠疫相关的组织损伤和败血症的方法。本发明的方法包括向受试者施用治疗有效量的 A1 腺苷受体拮抗剂，单独施用或与至少一种额外的治疗剂（包括抗生素制剂）联合施用。本发明的方法可用于生物防御，以预防和治疗与鼠疫耶氏菌感染有关的组织损伤和败血症，特别是在发生这种致命细菌的生物恐怖袭击时，可用于预防和治疗肺鼠疫。