3-[3-[[(甲基氨基)羰基]氧基]丙基]-1-丙基-2(1H)-喹喔啉酮 | 135779-82-7

• 物质功能分类: 生物化工 - 生化试剂 - 激动剂抑制剂
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 3-[3-[[(甲基氨基)羰基]氧基]丙基]-1-丙基-2(1H)-喹喔啉酮
• 中文别名: 3-(3-氧代-4-丙基-3,4-二氢喹噁啉-2-基)丙基 甲基氨基甲酸酯
• 英文名称: 1-propyl 3-(3-methylcarbamoyloxy propyl) 1,2-dihydro 2-oxo quinoxaline
• 英文别名: bamaquimast；3-(3-oxo-4-propylquinoxalin-2-yl)propyl N-methylcarbamate
• CAS: 135779-82-7
• 化学式: C₁₆H₂₁N₃O₃
• 分子量: 303.361
• InChiKey: HNQSZPBGDAJIJO-UHFFFAOYSA-N

物化性质

• 密度：
  1.20±0.1 g/cm3(Predicted)
• 溶解度：
  二甲基亚砜：≥29mg/mL（95.60mM）

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  71
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 储存条件：
  -20℃

制备方法与用途

生物活性

Bamaquimast（F 10126；L 0042）是一种有效的抗哮喘药物。

体外研究

Bamaquimast（F 10126；L 0042）具有抗过敏或抗炎作用，但不作为抗组胺药发挥作用。

反应信息

• 作为产物：
  描述：

  1-propyl 3-(3-hydroxy propyl) 1,2-dihydro 2-oxo quinoxaline 、 异氰酸甲酯 在 异氰酸甲酯 作用下， 以43的产率得到3-[3-[[(甲基氨基)羰基]氧基]丙基]-1-丙基-2(1H)-喹喔啉酮
  参考文献：
  名称：

  Derivatives of 1,2-dihydro 2-oxo quinoxalines, their preparation and

  摘要：

  新的1,2-二氢-2-氧基喹啉衍生物，对应于一般式I：##STR1## 其中： R是氢或卤素原子R.sub.1是氢原子或直链或支链C.sub.1-C.sub.4烷基基团R.sub.2是： 氢原子 C（O）R.sub.4基团，其中R.sub.4是直链或支链C.sub.1-C.sub.4烷基团 C（O）NHR.sub.5基团，其中R.sub.5是直链或支链C.sub.1-C.sub.4烷基基团或苯基A是C.sub.1-C.sub.4碱性链R.sub.3表示： 氢原子，C.sub.1-C.sub.4烷基基团，C.sub.3-C.sub.6环烷基团，炔基，腈基，羟基，羧酰胺基，吡啶基，苯基或取代有卤素原子，C.sub.1-C.sub.4烷基基团，C.sub.1-C.sub.4烷氧基团或硝基基团的苯基基团式的烯基基团：##STR2## 其中R.sub.6，R.sub.7可以独立地是氢原子，C.sub.1-C.sub.4烷基基团，苯基或烷氧羰基基团 --OC（O）R.sub.8基团，其中R.sub.8表示C.sub.1-C.sub.4烷基基团 --OC（O）NHR.sub.9基团，其中R.sub.9表示直链或支链C.sub.1-C.sub.4烷基基团或苯基可以从2到4取值。这些分子的治疗上可接受的有机或无机盐也有用于治疗呼吸系统疾病的作用。

  公开号：

  US05198441A1

文献信息

• Nitrate prodrugs able to release nitric oxide in a controlled and selective way and their use for prevention and treatment of inflammatory, ischemic and proliferative diseases
  申请人：Scaramuzzino, Giovanni

  公开号：EP1336602A1

  公开（公告）日：2003-08-20

  New pharmaceutical compounds of general formula (I): F-(X)q where q is an integer from 1 to 5, preferably 1; -F is chosen among drugs described in the text, -X is chosen among 4 groups -M, -T, -V and -Y as described in the text. The compounds of general formula (I) are nitrate prodrugs which can release nitric oxide in vivo in a controlled and selective way and without hypotensive side effects and for this reason they are useful for the preparation of medicines for prevention and treatment of inflammatory, ischemic, degenerative and proliferative diseases of musculoskeletal, tegumental, respiratory, gastrointestinal, genito-urinary and central nervous systems.

  通式（I）的新药物化合物：F-（X）q，其中q是1到5的整数，最好是1；-F是在文本中描述的药物中选择的，-X是在文本中描述的4个组-M，-T，-V和-Y中选择的。通式（I）的化合物是硝酸盐前药，可以在体内以受控和选择性的方式释放一氧化氮，而不会产生降压副作用，因此它们非常适用于制备用于预防和治疗肌肉骨骼，皮肤，呼吸，消化，泌尿和中枢神经系统的炎症，缺血，退行性和增生性疾病的药物。
• Compositions and treatments for inhibiting kinase and/or HMG-CoA reductase
  申请人：Griffin John

  公开号：US20060084695A1

  公开（公告）日：2006-04-20

  The present invention provides compositions of matter, kits and methods for their use in the treatment of MAP kinase-related conditions and/or HMG-CoA reductase-related conditions. In particular, the invention provides compositions for treating inflammatory and/or cardiovascular conditions in an animal subject by inhibiting p38α MAP kinase and/or HMG-CoA reductase, as well as providing formulations and modes of administering such compositions. The invention further provides methods for the rational design of inhibitors of MAP kinase, HMG-CoA reductase, or both for use in the practice of the present invention.

  本发明提供了物质组成、试剂盒和使用它们治疗MAP激酶相关疾病和/或HMG-CoA还原酶相关疾病的方法。特别地，本发明提供了用于通过抑制p38α MAP激酶和/或HMG-CoA还原酶来治疗动物主体的炎症和/或心血管疾病的物质组成，以及提供这些物质组成的配方和给药方式。本发明还提供了用于有理设计MAP激酶、HMG-CoA还原酶或两者的抑制剂以用于本发明实践的方法。
• THERAPEUTIC OR PROPHYLACTIC AGENT FOR RETINOPATHY OF PREMATURITY, METHOD OF TESTING FOR RETINOPATHY OF PREMATURITY, AND SCREENING METHOD FOR THERAPEUTIC OR PROPHYLACTIC SUBSTANCE FOR RETINOPATHY OF PREMATURITY
  申请人：Japan Innovative Therapeutics, Inc.

  公开号：EP2913062A1

  公开（公告）日：2015-09-02

  Provided are a therapeutic or prophylactic agent for retinopathy of prematurity (ROP) that is suited to the pathogenic mechanism of ROP and a method of testing for ROP. The therapeutic or prophylactic agent for ROP uses at least one substance from the group consisting of inhibitors against tryptase derived from mast cells and/or mast cell stabilizers as an active ingredient. The testing method for ROP includes detecting a marker substance that can be released by degranulation of mast cells in a biological sample originating from a patient and determining the presence or absence of ROP on the basis of the detected amount of the marker.

  本发明提供了一种适合早产儿视网膜病变（ROP）致病机制的早产儿视网膜病变（ROP）治疗剂或预防剂，以及一种检测早产儿视网膜病变的方法。早产儿视网膜病变的治疗剂或预防剂使用至少一种由肥大细胞胰蛋白酶抑制剂和/或肥大细胞稳定剂组成的组中的物质作为活性成分。这种检测方法包括检测来自患者的生物样本中肥大细胞脱颗粒释放的标记物质，并根据检测到的标记物质的量来确定是否患有视网膜病变。
• Therapeutic or prophylactic agent for retinopathy of prematurity, testing method for retinopathy of prematurity, and screening method for therapeutic or prophylactic substance for retinopathy of prematurity
  申请人：TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY

  公开号：US10330670B2

  公开（公告）日：2019-06-25

  Provided are a therapeutic or prophylactic agent for retinopathy of prematurity (ROP) that is suited to the pathogenic mechanism of ROP and a method of testing for ROP. The therapeutic or prophylactic agent for ROP uses at least one substance from the group consisting of inhibitors against tryptase derived from mast cells and/or mast cell stabilizers as an active ingredient. The testing method for ROP includes detecting a marker substance that can be released by degranulation of mast cells in a biological sample originating from a patient and determining the presence or absence of ROP on the basis of the detected amount of the marker.

  本发明提供了一种适合早产儿视网膜病变（ROP）致病机制的早产儿视网膜病变（ROP）治疗剂或预防剂，以及一种检测早产儿视网膜病变的方法。治疗或预防早产儿视网膜病变的药物使用至少一种由肥大细胞胰蛋白酶抑制剂和/或肥大细胞稳定剂组成的组中的物质作为活性成分。这种检测方法包括检测来自患者的生物样本中肥大细胞脱颗粒释放的标记物质，并根据检测到的标记物质的量来确定是否患有视网膜病变。
• Controlled absorption water-soluble pharmaceutically active organic compound formulation for once-daily administration
  申请人：Counts David F.

  公开号：US10463611B2

  公开（公告）日：2019-11-05

  The present disclosure provides a once-daily water-soluble pharmaceutically active formulation for oral administration. In certain embodiments, the composition comprises a water-soluble pharmaceutically active organic compound incorporated into a small particulate, each particulate having a core of the water-soluble pharmaceutically active organic compound or an acceptable salt thereof in reversible association with a pharmaceutically acceptable drug-binding polymer. The core of the composition being surrounded by an insoluble water permeable membrane that is capable of delaying the dissolution of the pharmaceutically active compound therewithin and providing for extended release of the pharmaceutically active compound. In some embodiments, the formulation of the invention are designed to extend release of the pharmaceutically active organic compound for about 3 hours to about 8 hours, thereby enabling preparation of an extended release formulation for any pharmaceutically active compound with a half-life of from about 16 hours to about 21 hours.

  本公开提供了一种用于口服的每日一次水溶性药用活性制剂。在某些实施方案中，该组合物包括掺入小颗粒中的水溶性药用活性有机化合物，每个颗粒都有一个水溶性药用活性有机化合物或其可接受盐的核心，该核心与药学上可接受的药物结合聚合物可逆结合。组合物的核心由不溶性透水膜包围，该膜能够延迟其中的药用活性化合物的溶解，并延长药用活性化合物的释放时间。在某些实施方案中，本发明的制剂可将药用活性有机化合物的释放时间延长约 3 小时至约 8 小时，从而能够制备半衰期为约 16 小时至约 21 小时的任何药用活性化合物的缓释制剂。