1,3-dimethyl-7-pyrrolidinomethyl-3,7-dihydro-purine-2,6-dione | 96186-09-3

• 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: 1,3-dimethyl-7-pyrrolidinomethyl-3,7-dihydro-purine-2,6-dione
• 英文别名: 1,3-Dimethyl-7-pyrrolidinomethyl-3,7-dihydro-purin-2,6-dion；7-(pyrrolidinomethyl)theophylline；7-(1-pyrrolidinyl)methyltheophylline；1,3-dimethyl-7-(pyrrolidin-1-ylmethyl)purine-2,6-dione
• CAS: 96186-09-3
• 化学式: C₁₂H₁₇N₅O₂
• 分子量: 263.299
• InChiKey: OVEDMCYZXLAOHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  61.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  茶碱 生成 1,3-dimethyl-7-pyrrolidinomethyl-3,7-dihydro-purine-2,6-dione
  参考文献：
  名称：

  SLOAN, K. B.;KOCH, S. A. M.;SIVER, K. G., INT. J. PHARM., 1984, 21, N 3, 251-264

  摘要：

  DOI：

文献信息

• Aminomethyl derivatives of biologically active substances and enhanced
  申请人：University of Florida

  公开号：US04975433A1

  公开（公告）日：1990-12-04

  A compound of the formula: ##STR1## wherein: R and R.sub.1 may be the same or different and are selected from the group consisting of H; cycloalkyl groups having up to 10 carbon atoms; or straight or branched chain alkyl, alkenyl or alkynyl of 1 to 10 carbon atoms; R.sub.2 and R.sub.3 together with the nitrogen atom to which they are bonded form a pyrrolidine, piperidine, N-methyl piperazine, piperazine or morpholine ring; or a non-toxic pharmaceutically acceptable salt, adduct, oxide or other derivative thereof; and pharmaceutical compositions adapted for topical administration to a human or non-human animal and methods of topically administering the compositions to humans and non-human animals.

  该化合物的化学式为：##STR1## 其中：R和R.sub.1可以相同也可以不同，选择自H；具有10个碳原子以下的环烷基；或1至10个碳原子的直链或支链烷基，烯基或炔基；R.sub.2和R.sub.3与它们结合的氮原子形成吡咯烷，吡啶烷，N-甲基哌嗪，哌嗪或吗啉环；或非毒性药学上可接受的盐，加合物，氧化物或其他衍生物；以及适用于人类或非人类动物局部给药的制剂和给药方法。
• Aminomethyl derivatives of biologically active substances, and enhanced
  申请人：University of Florida

  公开号：US04845081A1

  公开（公告）日：1989-07-04

  N-methylamino derivatives of biologically active substances which have enhanced delivery across topical membranes and pharmaceutical compositions adapted for topical administration containing same.

  具有增强透过局部膜递送的生物活性物质的N-甲基氨基衍生物以及适用于局部给药的制药组合物，其中包含相同的物质。
• Nonaqueous Electrolyte Solution and Nonaqueous Secondary Battery
  申请人：Asahi Kasei Kabushiki Kaisha

  公开号：US20210344045A1

  公开（公告）日：2021-11-04

  A nonaqueous electrolyte solution is provided comprising a nonaqueous solvent containing acetonitrile at 5 vol % to 95 vol %; a lithium salt; and one or more compounds having a structure satisfying the following conditions 1 to 5: 1. being a condensation polycyclic heterocyclic ring compound, 2. containing a pyrimidine backbone in the condensation polycyclic heterocyclic ring, 3. containing 3 or more nitrogen atoms in the condensation polycyclic heterocyclic ring, 4. containing 5 or more sp2 carbons in the condensation polycyclic heterocyclic ring, and 5. having no hydrogen atoms bonded to the nitrogen atoms in the condensation polycyclic heterocyclic ring.
• US4845081A
  申请人：——

  公开号：US4845081A

  公开（公告）日：1989-07-04
• US4975433A
  申请人：——

  公开号：US4975433A

  公开（公告）日：1990-12-04