ethyl 5-[5-[4-(aminoiminomethyl)phenoxy]pentyloxy]-2-[N,N-bis(1-methylethyl)carbamoyl]phenoxydimethylacetate monohydrochloride | 156786-01-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl 5-[5-[4-(aminoiminomethyl)phenoxy]pentyloxy]-2-[N,N-bis(1-methylethyl)carbamoyl]phenoxydimethylacetate monohydrochloride
• 英文别名: ethyl 5-[5-[4-(aminoiminomethyl)phenoxy]pentyloxy]-2-[N,N-bis(1-methylethyl)carbamoyl]phenoxydimethylacetate hydrochloride；Ethyl 2-[5-[5-(4-carbamimidoylphenoxy)pentoxy]-2-[di(propan-2-yl)carbamoyl]phenoxy]-2-methylpropanoate;hydrochloride
• CAS: 156786-01-5
• 化学式: C₃₁H₄₅N₃O₆*ClH
• 分子量: 592.176
• InChiKey: KPQFAVMFYALCEJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.0
• 重原子数：
  41
• 可旋转键数：
  17
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  124
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  ethyl 5-[5-[4-(aminoiminomethyl)phenoxy]pentyloxy]-2-[N,N-bis(1-methylethyl)carbamoyl]phenoxydimethylacetate monohydrochloride 生成 ethyl 5-[5-[4-[amino(propanoylimino)methyl]phenoxy]pentyloxy]-2-[N,N-bis(1-methylethyl)carbamoyl]phenoxydimethylacetate
  参考文献：
  名称：

  Amidino compounds, their manufacture and methods of treatment

  摘要：

  该发明涉及公式##STR1##中的化合物，其中C(.dbd.NH)--NHR.sub.3基团可以是互变异构体或同分异构体，以及其药用盐。这些化合物可用作选择性LTB.sub.4受体拮抗剂。

  公开号：

  US05451700A1

文献信息

• Substituted amidino compounds, their manufacture and methods of treatment
  申请人：Ciba-Geigy Corporation

  公开号：US05639768A1

  公开（公告）日：1997-06-17

  The invention relates to the compounds of formula (I) wherein the C(.dbd.NH)--NHR.sub.3 group may be in tautomeric or isomeric form, and pharmaceutically acceptable salts thereof, in which: R.sub.1 is amino which is mono- or disubstituted by a substituent selected from an aliphatic hydrocarbon radical, an araliphatic hydrocarbon radical, an aromatic radical, and a cycloaliphatic hydrocarbon radical or is amino which is disubstituted by a divalent aliphatic hydrocarbon radical or a said radical interrupted by oxygen; R.sub.2 is hydroxy which is etherified by an aliphatic alcohol which is substituted by carboxy, by esterified carboxy or by amidated carboxy; R.sub.3 is hydrogen or an acyl radical which is derived from an organic carbonic acid, an organic carboxylic acid, a sulfonic acid, or a carbamic acid; X.sub.1 and X.sub.3, independently of one another, are oxygen (--O--) or sulphur (--S--); and X.sub.2 is a divalent aliphatic hydrocarbon radical which may be interrupted by an aromatic radical. The compounds are useful as selective LTB.sub.4 receptor antagonists in the treatment of conditions or syndromes in mammals which are responsive to LTB.sub.4 receptor antagonism.

  该发明涉及具有以下式（I）的化合物，其中C(.dbd.NH)--NHR.sub.3基团可以是互变异构体或同分异构体形式，并且其药学上可接受的盐，其中：R.sub.1是氨基，可以是由来自脂肪烃基、芳基烃基、芳基或环脂烃基的取代基单取代或双取代的氨基，也可以是由双价脂肪烃基或被氧中断的所述基团取代的氨基；R.sub.2是被脂肪醇醚化的羟基，该脂肪醇被羧基、酯化羧基或酰胺化羧基取代；R.sub.3是氢或由有机碳酸、有机羧酸、磺酸或碳酸衍生的酰基基团；X.sub.1和X.sub.3，彼此独立地，是氧（--O--）或硫（--S--）；而X.sub.2是可以由芳基中断的双价脂肪烃基。这些化合物在治疗对LTB.sub.4受体拮抗剂敏感的哺乳动物的病症或综合症中作为选择性LTB.sub.4受体拮抗剂是有用的。
• SUBSTITUTED AMIDINO COMPOUNDS, THEIR MANUFACTURE AND METHODS OF TREATMENT
  申请人：CIBA-GEIGY AG

  公开号：EP0669909A1

  公开（公告）日：1995-09-06
• US5451700A
  申请人：——

  公开号：US5451700A

  公开（公告）日：1995-09-19
• US5639768A
  申请人：——

  公开号：US5639768A

  公开（公告）日：1997-06-17
• [EN] SUBSTITUTED AMIDINO COMPOUNDS, THEIR MANUFACTURE AND METHODS OF TREATMENT<br/>[FR] COMPOSES D'AMIDINO SUBSTITUE, LEUR FABRICATION ET LEURS PROCEDES DE TRAITEMENT
  申请人：CIBA-GEIGY AG

  公开号：WO1994011341A1

  公开（公告）日：1994-05-26

  (EN) The invention relates to the compounds of formula (I) wherein the C( = NH)-NHR3 group may be in tautomeric or isomeric form, and pharmaceutically acceptable salts thereof, in which: R1 is amino which is mono- or disubstituted by a substituent selected from an aliphatic hydrocarbon radical, an araliphatic hydrocarbon radical, an aromatic radical, and a cycloaliphatic hydrocarbon radical or is amino which is disubstituted by a divalent aliphatic hydrocarbon radical or a said radical interrupted by oxygen; R2 is hydroxy which is etherified by an aliphatic alcohol which is substituted by carboxy, by esterified carboxy or by amidated carboxy; R3 is hydrogen or an acyl radical which is derived from an organic carbonic acid, an organic carboxylic acid, a sulfonic acid, or a carbamic acid; X1 and X3, independently of one another, are oxygen (-O-) or sulphur (-S-); and X2 is a divalent aliphatic hydrocarbon radical which may be interrupted by an aromatic radical. The compounds are useful as selective LTB4 receptor antagonists in the treatment of conditions or syndromes in mammals which are responsive to LTB4 receptor antagonism.(FR) L'invention se rapporte aux composés de la formule (I) dans laquelle le groupe C( = NH)-NHR3 peut être de forme tautomère ou isomère, et à des sels pharmaceutiquement acceptables de ceux-ci. R1 représente amino qui est mono- ou disubstitué par un substituant sélectionné dans un radical d'hydrocarbure aliphatique, un radical d'hydrocarbure araliphatique, un radical aromatique et un radical d'hydrocarbure cycloaliphatique par un radical d'hydrocarbure aliphatique divalent ou bien ce radical est interrompu par l'oxygène; R2 représente hydroxy qui est éthérifié par un alcool aliphatique qui est substitué par carboxy, par carboxy estérifié ou par carboxy amidé; R3 représente hydrogène ou un radical acyle qui est dérivé d'un acide carbonique organique, d'un acide carboxylique organique, d'un acide sulfonique ou d'un acide carbamique; X1 et X3 représentent, indépendamment l'un de l'autre, oxygène (-O-) ou soufre (-S-); et X2 est un radical d'hydrocarbure aliphatique divalent qui peut être interrompu par un radical aromatique. Les composés sont utiles comme antagonistes sélectifs du récepteur LTB4 dans le traitement de troubles ou syndromes chez les mammifères qui sont sensibles à l'antagonisme du récepteur LTB4.