4-[5-(4-甲脒基苯氧基)戊氧基]-N'-羟基苯甲脒 | 130349-07-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-[5-(4-甲脒基苯氧基)戊氧基]-N'-羟基苯甲脒
• 中文别名: N-羟基潘他米丁
• 英文名称: pentamidine monoamidoxime
• 英文别名: pentamidine MAO；4-[5-[4-[(E)-N'-hydroxycarbamimidoyl]phenoxy]pentoxy]benzenecarboximidamide
• CAS: 130349-07-4
• 化学式: C₁₉H₂₄N₄O₃
• 分子量: 356.425
• InChiKey: UREYBSXWRHBDHQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  26
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  127
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-[5-(4-甲脒基苯氧基)戊氧基]-N'-羟基苯甲脒 在 cytochrome b5 、 mitochondrial amidoxime reducing component 1 、 NADH cytochrome b5 reductase 、 还原型辅酶Ⅰ 作用下， 生成 喷他脒
  参考文献：
  名称：

  The Fourth Molybdenum Containing Enzyme mARC: Cloning and Involvement in the Activation of N-Hydroxylated Prodrugs

  摘要：

  The recently discovered mammalian molybdoprotein mARC1 is capable of reducing N-hydroxylated compounds. Upon reconstitution with cytochrome b(5) and b5 reductase, benzamidoxime, pentamidine, and diminazene amidoximes, N-hydroxymelagatran, guanoxabenz, and N-hydroxydebrisoquine are efficiently reduced. These substances are amidoxime/N-hydroxyguanidine prodrugs, leading to improved bioavailability compared to the active amidines/guanidines. Thus, the recombinant enzyme allows prediction about in vivo reduction of N-hydroxylated prodrugs. Furthermore, the prodrug principle is not dependent on cytochrome P450 enzymes.

  DOI：

  10.1021/jm8010417
• 作为产物：
  描述：

  4,4'-pentamethylenedioxydibenzamideoxime 在 cytochrome b5 、 mitochondrial amidoxime reducing component 1 、 NADH cytochrome b5 reductase 、 还原型辅酶Ⅰ 作用下， 生成 4-[5-(4-甲脒基苯氧基)戊氧基]-N'-羟基苯甲脒
  参考文献：
  名称：

  The Fourth Molybdenum Containing Enzyme mARC: Cloning and Involvement in the Activation of N-Hydroxylated Prodrugs

  摘要：

  The recently discovered mammalian molybdoprotein mARC1 is capable of reducing N-hydroxylated compounds. Upon reconstitution with cytochrome b(5) and b5 reductase, benzamidoxime, pentamidine, and diminazene amidoximes, N-hydroxymelagatran, guanoxabenz, and N-hydroxydebrisoquine are efficiently reduced. These substances are amidoxime/N-hydroxyguanidine prodrugs, leading to improved bioavailability compared to the active amidines/guanidines. Thus, the recombinant enzyme allows prediction about in vivo reduction of N-hydroxylated prodrugs. Furthermore, the prodrug principle is not dependent on cytochrome P450 enzymes.

  DOI：

  10.1021/jm8010417

文献信息

• Benzoic acid derivatives and related compounds as antiarrhythmic agents
  申请人：——

  公开号：US20020137968A1

  公开（公告）日：2002-09-26

  Benzoic acid derivatives of the formula I 1 where X is oxygen, sulfur, —NH, —NR 1 , —N—CN, —N—OR 1 or —N—NO 2 ; Y is a single bond, —C═C—, or —NH; R 1 is alkyl, alkenyl, alkynyl, aryl, cycloalkyl, heterocyclo, or (heterocyclo)alkyl; and R 2 is aryl or heterocyclo. The compounds of formula I are useful in the treatment of arrhythmia.

  公式I的苯甲酸衍生物 其中X为氧、硫、—NH、—NR 1 、—N—CN、—N—OR 1 或—N—NO 2 ； Y为单键、—C═C—或—NH； R 1 为烷基、烯基、炔基、芳基、环烷基、杂环烷基或(杂环烷基)；和 R 2 为芳基或杂环烷基。公式I的化合物在心律失常的治疗中很有用。
• Tetrahydroquinoline Derivatives
  申请人：Staehle Wolfgang

  公开号：US20080221118A1

  公开（公告）日：2008-09-11

  Compounds of the formula I, in which s, k, I, W, R 1 , R 2 , R 3 , and U have the meanings indicated in claim 1 , can be employed, inter alia, for the treatment of tumours.

  公式I中的化合物，其中s，k，I，W，R1，R2，R3和U具有权利要求1中指示的含义，可以用于治疗肿瘤等疾病。
• BACTERIAL EFFLUX PUMP INHIBITORS FOR THE TREATMENT OF OPHTHALMIC AND OTIC INFECTIONS
  申请人：Bostian Keith

  公开号：US20080132457A1

  公开（公告）日：2008-06-05

  Efflux pump inhibitors are co-administered with antimicrobial agents for the treatment of ophthalmic or otic infections. The agents may be co-administered directly to the site of infection (e.g., the eye or ear).

  流出泵抑制剂与抗微生物药物一起联合使用，用于治疗眼科或耳科感染。这些药物可以直接共同应用于感染部位（例如眼睛或耳朵）。
• METHODS FOR THE TREATMENT OF TUMORS WITH INDANE COMPOUNDS
  申请人：FINSINGER Dirk

  公开号：US20120130147A1

  公开（公告）日：2012-05-24

  Compounds of the formula (I), in which R 1 , R 2 , R 3 , R 4 , and q have the meanings indicated in Claim 1 , can be employed, inter alia, for the treatment of tumours.

  公式（I）的化合物，其中R1、R2、R3、R4和q具有声明1中指示的含义，可用于治疗肿瘤等疾病。
• Tetrahydropyranochinolinderivate
  申请人：Merck Patent GmbH

  公开号：EP2033959A1

  公开（公告）日：2009-03-11

  Verbindungen der Formel IA4 worin R1, R2, R3, R6 und Ra die in Anspruch 1 angegebenen Bedeutungen haben, können u.a. zur Behandlung von Tumoren eingesetzt werden.

  式 IA4 的化合物 其中 R1、R2、R3、R6 和 Ra 的含义如权利要求 1 所述，除其他外，可用于治疗肿瘤。