(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-purin-1-yl)-acetic acid amide | 5614-54-0

• 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: (3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-purin-1-yl)-acetic acid amide
• 英文别名: (3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-purin-1-yl)-essigsaeure-amid；2-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide；2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide
• CAS: 5614-54-0
• 化学式: C₉H₁₁N₅O₃
• 分子量: 237.218
• InChiKey: BIBZICLJHBCSMM-UHFFFAOYSA-N

物化性质

• 熔点：
  301-302 °C (decomp)
• 沸点：
  586.7±56.0 °C(Predicted)
• 密度：
  1?+-.0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  102
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  ethyl 2-(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetate 在 氨 、 水 作用下， 生成 (3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-purin-1-yl)-acetic acid amide
  参考文献：
  名称：

  Masi, Ricerca Scientifica, 1952, vol. 22, p. 1596,1599

  摘要：

  DOI：

文献信息

• Pulmonary delivery for bioconjugation
  申请人：CONJUCHEM, INC.

  公开号：US20040156859A1

  公开（公告）日：2004-08-12

  Methods of and compositions for pulmonary delivery of therapeutic agents which are capable of forming covalent bonds with a site of interest or which have formed a covalent bond with a pulmonary solution protein are disclosed. Therapeutic agents useful in the invention include wound healing agents, antibiotics, anti-inflammatories, anti-oxidants, anti-proliferatives, immunosupressants, anti-infective and anti-cancer agents.

  本发明公开了一种可与感兴趣的部位形成共价键或已与肺溶液蛋白形成共价键的治疗剂的肺部输送方法和组成物。本发明中有用的治疗剂包括伤口愈合剂、抗生素、抗炎剂、抗氧化剂、抗增殖剂、免疫抑制剂、抗感染和抗癌剂。
• Some Xanthineacetic Acid Derivatives
  作者：Freeman H. McMillan、H. M. Wuest

  DOI：10.1021/ja01104a514

  日期：1953.4
• BIOCONJUGATION IN VIVO TO PULMONARY OR BLOOD COMPONENTS
  申请人：Conjuchem, Inc.

  公开号：EP1235618A2

  公开（公告）日：2002-09-04
• [EN] PULMONARY DELIVERY FOR BIOCONJUGATION<br/>[FR] DIFFUSION PULMONAIRE PERMETTANT LA BIOCONJUGAISON
  申请人：CONJUCHEM INC

  公开号：WO2001017568A2

  公开（公告）日：2001-03-15

  In order to meet these needs, the present invention is directed to therapeutic and diagnostic agents capable of forming covalent bonds to blood and pulmonary fluid proteins or other components ex vivo or in vivo. The therapeutic agents of this invention have a long duration of action for the management of disease. The invention relates to ex vivo and in vivo bioconjugation of therapeutic agents to protein (e.g. albumin), as well as an intrapulmonary in vivo bioconjugation of therapeutic agents to endogenous pulmonary fluid proteins or other components to dramatically increase the half life of the therapeutic agents and avoid the need for parenteral administration. This invention is further directed to the use of reactive chemistries including: N-hydroxy sulfosuccinimide, maleimide-benzoyl-succinimide, gamma-maleimido-butyryloxy succinimide ester, maleimidopropionic acid, isocyanate, thiolester, thionocarboxylic acid ester, imino ester, and carbodiimide anhydride. Maleimidopropionic acid is the preferred reactive chemistry, but the invention also contemplates the selection of the above and like reactive chemistries as an electrophilic moeity for bioconjugations with albumin or other proteins. Modified therapeutic agents mentioned are the anti-histamine drug loratidine or cetirizine, a hypothyroid drug, the anti-angina drug tirofiban, the anti-hypertensive drug enalapril, the anti-arrhytmic drug capobenic acid, the antidepressant drug fluoxetine, the bronchodilation drug the obromineacetamine, the antiinflammatory drug loxoprofen, the anti-thyroid deficiency drug thyroxin, and 4-anilino-1-(2-phenethyl)piperidine.
• Masi, Ricerca Scientifica, 1952, vol. 22, p. 1596,1599
  作者：Masi

  DOI：——

  日期：——