7-Hexanoyloxymethyl-theophyllin | 64210-73-7

• 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: 7-Hexanoyloxymethyl-theophyllin
• 英文别名: 7-hexanoyloxymethyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione；7-Hexanoyloxymethyl-theophylline；7-Hexanoyloxymethyl theophylline；(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl hexanoate
• CAS: 64210-73-7
• 化学式: C₁₄H₂₀N₄O₄
• 分子量: 308.337
• InChiKey: UXSMYWBTLMYEGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  84.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  己酰氯 、 7-(hydroxymethyl)theophylline 、 三乙胺 、 methylene chloride-heptane 以 二氯甲烷 为溶剂， 反应 0.25h， 以to give 0.70 g (mp 67°-72° C., 43% yield) of the desired product的产率得到7-Hexanoyloxymethyl-theophyllin
  参考文献：
  名称：

  Transient pro-drug forms of xanthine derivatives and their use as

  摘要：

  提供了化学式为##STR1##的化合物，用于治疗温血动物的皮肤炎症。

  公开号：

  US04275064A1

文献信息

• Transient pro-drug forms of xanthine derivatives and their use as
  申请人：INTERx Research Corporation

  公开号：US04275064A1

  公开（公告）日：1981-06-23

  Compounds of the formula: ##STR1## useful in treating dermal inflammation in warm-blooded animals are provided.

  提供了化学式为##STR1##的化合物，用于治疗温血动物的皮肤炎症。
• Treating psoriasis with transient pro-drug forms of xanthine derivatives
  申请人：INTERx Research Corporation

  公开号：US04061753A1

  公开（公告）日：1977-12-06

  Compounds of the formula: ##STR1## wherein R, which may be the same or different, represents a member selected from the group consisting of --CH.sub.3, --C.sub.2 H.sub.5, --C.sub.3 H.sub.7, iso--C.sub.3 H.sub.7, --C.sub.4 H.sub.9, iso--C.sub.4 H.sub.9, pentyl, benzyl, allyl, 2-hydroxyethyl, cyclohexyl, 2-isobutenyl, hydroxymethyl, 2-phenylethyl and -CH.sub.2 O-R.sub.2, wherein R.sub.2 is defined infra; wherein R.sub.1 represents a member selected from the group consisting of H, C.sub.1 -C.sub.7 straight or branched alkyl, CCl.sub.3, CBr.sub.3, CI.sub.3, ##STR2## CH.sub.3 O--CH.sub.2 --, (CH.sub.3).sub.2 NCH.sub.2 --, ##STR3## wherein R.sub.3 represents a member selected from the group consisting of -OH, halogen (Cl, Br, I), --OCH.sub.3, -COOCH.sub.3, -NO.sub.2 and -OCOCH.sub.3 ; wherein ##STR4## and wherein R.sub.2 represents a member selected from the group consisting of ##STR5## wherein R.sub.4 is a member selected from the group consisting of C.sub.2 -C.sub.20 straight or branched alkyl (C.sub.3 -C.sub.7 preferred), --[--(CH.sub.2).sub.m --], wherein m represents an integer of from 0 to 10, ##STR6## wherein R.sub.3 is defined as above, ##STR7## the residue of any naturally occurring amino acid, the residue of any N- substituted amino acid, wherein said substituent is any amino acid protective group cleavable via hydrogenolysis or hydrolysis (e.g., formyl, benzyloxy, carbonyl, t-butyloxycarbonyl), the residue of an N,N-C.sub.1 -C.sub.5 -dialkyl or cycloalkylamino acid, ##STR8## wherein n represents an integer of from 1-5 and R.sub.5 and R.sub.6 which may be the same or different represent C.sub.1 -C.sub.5 alkyl or together form a heterocyclic ring with the N atom to which they are attached (e.g., pyrolidine, piperidine, morpholine, piperazine, imidazoline, thiazolidine, isoxazolidine), imidazolyl, O-C.sub.1 -C.sub.8 alkyl, O-benzyl, O-phenyl and ##STR9## wherein n, R.sub.5 and R.sub.6 are defined as above; and wherein R.sup.2 further represents a member selected from the group consisting of straight or branched C.sub.1 -C.sub.20 alkyl, ##STR10## wherein n, R.sub.5 and R.sub.6 are defined as above, phenyl, tolyl, xylyl, and --SO.sub.2 --R.sub.7, wherein R.sub.7 is a straight or branched C.sub.1 -C.sub.20 alkyl useful in treating psoriasis in warm-blooded animals are provided.

  提供一种公式为：##STR1##其中R，可以相同或不同，代表从群组中选择的成员，该群组包括--CH.sub.3，--C.sub.2 H.sub.5，--C.sub.3 H.sub.7，iso--C.sub.3 H.sub.7，--C.sub.4 H.sub.9，iso--C.sub.4 H.sub.9，戊基，苄基，烯丙基，2-羟基乙基，环己基，2-异丁烯基，羟甲基，2-苯乙基和-CH.sub.2 O-R.sub.2，其中R.sub.2如下所定义;其中R.sub.1代表从群组中选择的成员，该群组包括H，C.sub.1-C.sub.7直链或支链烷基，CCl.sub.3，CBr.sub.3，CI.sub.3，##STR2##CH.sub.3 O--CH.sub.2 --，(CH.sub.3).sub.2 NCH.sub.2 --，##STR3##其中R.sub.3代表从群组中选择的成员，该群组包括-OH，卤素（Cl，Br，I），--OCH.sub.3，-COOCH.sub.3，-NO.sub.2和-OCOCH.sub.3;其中##STR4##其中R.sub.2代表从群组中选择的成员，该群组包括##STR5##其中R.sub.4是从群组中选择的成员，该群组包括C.sub.2-C.sub.20直链或支链烷基（C.sub.3-C.sub.7为首选），--[--(CH.sub.2).sub.m--]，其中m表示0到10的整数，##STR6##其中R.sub.3如上所定义，##STR7##任何天然氨基酸的残基，任何N-取代氨基酸的残基，其中所述取代基是通过氢解或水解可裂解的任何氨基酸保护基（例如，甲酰基，苄氧基，羰基，t-叔丁氧羰基），N，N-C.sub.1-C.sub.5-二烷基或环烷基氨基酸的残基，##STR8##其中n表示1-5的整数，R.sub.5和R.sub.6可以相同或不同，代表C.sub.1-C.sub.5烷基，或者与它们连接的N原子形成杂环环（例如，吡咯烷，哌嗪，吗啉，吡嗪，咪唑啉，噻唑烷，异噻唑啉），咪唑基，O-C.sub.1-C.sub.8烷基，O-苄基，O-苯基和##STR9##其中n，R.sub.5和R.sub.6如上所定义;并且R.sup.2进一步代表从群组中选择的成员，该群组包括直链或支链C.sub.1-C.sub.20烷基，##STR10##其中n，R.sub.5和R.sub.6如上所定义，苯基，甲苯基，二甲苯基和--SO.sub.2--R.sub.7，其中R.sub.7是用于治疗温血动物牛皮癣的直链或支链C.sub.1-C.sub.20烷基。
• US4061753A
  申请人：——

  公开号：US4061753A

  公开（公告）日：1977-12-06
• US4275064A
  申请人：——

  公开号：US4275064A

  公开（公告）日：1981-06-23