N-(N-tert-butoxycarbonyl-L-phenylalanyl L-phenylalanyl)histamine | 130782-22-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-(N-tert-butoxycarbonyl-L-phenylalanyl L-phenylalanyl)histamine
• 英文别名: tert-butyl N-[(2S)-1-[[(2S)-1-[2-(1H-imidazol-5-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
• CAS: 130782-22-8
• 化学式: C₂₈H₃₅N₅O₄
• 分子量: 505.617
• InChiKey: OYPWEALCQALWLM-ZEQRLZLVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  37
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  125
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (tert-butoxycarbonyl)-L-phenylalanine N-hydroxysuccinimide ester 、 N-(L-phenylalanyl) histamine dihydrobromide 在 三乙胺 作用下， 以 N-甲基乙酰胺 、 乙酸乙酯 为溶剂， 生成 N-(N-tert-butoxycarbonyl-L-phenylalanyl L-phenylalanyl)histamine
  参考文献：
  名称：

  Imidazole-containing peptides having immunomodulatory activity

  摘要：

  公式为：##STR1## 其中R.sup.1是支链烷基，支链烷氧基或芳基取代的低级烷氧基，R.sup.2和R.sup.4相同或不同，都是氢原子或低级烷基，R.sup.3和R.sup.5是苯基取代的低级烷基，R.sup.6是氢原子或低级烷氧羰基基团，R.sup.7是氢原子或含氮杂环基取代的低级烷硫基团，X.sup.1和X.sup.2相同或不同，都是##STR2## A是低级烷基，可以用以下基团之一取代：低级烷氧基，羟甲基基团和式为：##STR3## R.sup.8和R.sup.9相同或不同，都是氢原子或低级基团，或其药学上可接受的盐，它可用作免疫调节剂和用于治疗和/或预防自身免疫性疾病，如类风湿性关节炎，多发性硬化症，系统性红斑狼疮，肾小球肾炎，风湿热或1型糖尿病和过敏症的药物，其制备过程以及含有该化合物作为活性成分的制药组合物。

  公开号：

  US05202312A1

文献信息

• Imidazole-containing peptide and preparation thereof
  申请人：TANABE SEIYAKU CO., LTD.

  公开号：EP0372818A2

  公开（公告）日：1990-06-13

  Imidazole-containing peptide of the formula: wherein R1 is a branched alkyl group, a branched alkyloxy group or an aryl-substituted lower alkyloxy group, R2 and R4 are the same or different and each is hydrogen atom or a lower alkyl group, R3 and RS are a phenyl-substituted lower alkyl group, R6 is hydrogen atom or a lower alkoxycarbonyl group, R7 is hydrogen atom or a nitrogen-containing heterocyclic group-substituted lower alkylthio group, X1 and X2 are the same or different and each is - N -, A is a lower alkylene group which may be substituted with a substituent selected from the group consisting of a lower alkoxy group, hydroxymethyl group and a group of the formula: and R8 and R9 are the same or different and each is hydrogen atom or a lower group, or a pharmaceutically acceptable salt thereof, which is useful as an immunomodulator and as an agent for the treatment and/or prophylaxis of autoimmune diseases such as rheumatoid arthritis, mulripule sclerosis, systemic lupus erthematodes, glomerulonephris,rhumatic fever or type I diabetes and atopic allergy, a processes for the preparation thereof, and a pharmaceutical composition containing said compound as an active ingredient.

  式中的含咪唑肽： 其中 R1 为支链烷基、支链烷氧基或芳基取代的低级烷氧基，R2 和 R4 相同或不同，且各自为氢原子或低级烷基，R3 和 RS 为苯基取代的低级烷基，R6 为氢原子或低级烷氧基羰基，R7 为氢原子或含氮杂环基取代的低级烷硫基，X1 和 X2 相同或不同，且各自为 - N -，A 是低级亚烷基，可被选自低级烷氧基、羟甲基和式中基团的取代基取代： 和 R8 和 R9 相同或不同，且各自为氢原子或低级基团，或其药学上可接受的盐，可用作免疫调节剂和治疗和/或预防自身免疫性疾病如类风湿性关节炎、毛滴虫硬化症、系统性红斑狼疮、肾小球肾炎、风湿热或 I 型糖尿病和特应性过敏的制剂，其制备工艺，以及含有所述化合物作为活性成分的药物组合物。
• US5202312A
  申请人：——

  公开号：US5202312A

  公开（公告）日：1993-04-13
• Imidazole-containing peptides having immunomodulatory activity
  申请人：Tanabe Seiyaku Co., Ltd.

  公开号：US05202312A1

  公开（公告）日：1993-04-13

  Imidazole-containing peptide of the formula: ##STR1## wherein R.sup.1 is a branched alkyl group, a branched alkyloxy group or an aryl-substituted lower alkyloxy group, R.sup.2 and R.sup.4 are the same or different and each is hydrogen atom or a lower alkyl group, R.sup.3 and R.sup.5 are a phenyl-substituted lower alkyl group, R.sup.6 is hydrogen atom or a lower alkoxycarbonyl group, R.sup.7 is hydrogen atom or a nitrogen-containing heterocyclic group-substituted lower alkylthio group, X.sup.1 and X.sup.2 are the same or different and each is ##STR2## A is a lower alkylene group which may be substituted with a substituent selected from the group consisting of a lower alkoxy group, hydroxymethyl group and a group of the formula: ##STR3## and R.sup.8 and R.sup.9 are the same or different and each is hydrogen atom or a lower group, or a pharmaceutically acceptable salt thereof, which is useful as an immunomodulator and as an agent for the treatment and/or prophylaxis of autoimmune diseases such as rheumatoid arthritis, multiple sclerosis, systemic lupus erthematodes, glomerulonephris, rhumatic fever or type I diabetes and atopic allergy, a processes for the preparation thereof, and a pharmaceutical composition containing said compound as an active ingredient.

  公式为：##STR1## 其中R.sup.1是支链烷基，支链烷氧基或芳基取代的低级烷氧基，R.sup.2和R.sup.4相同或不同，都是氢原子或低级烷基，R.sup.3和R.sup.5是苯基取代的低级烷基，R.sup.6是氢原子或低级烷氧羰基基团，R.sup.7是氢原子或含氮杂环基取代的低级烷硫基团，X.sup.1和X.sup.2相同或不同，都是##STR2## A是低级烷基，可以用以下基团之一取代：低级烷氧基，羟甲基基团和式为：##STR3## R.sup.8和R.sup.9相同或不同，都是氢原子或低级基团，或其药学上可接受的盐，它可用作免疫调节剂和用于治疗和/或预防自身免疫性疾病，如类风湿性关节炎，多发性硬化症，系统性红斑狼疮，肾小球肾炎，风湿热或1型糖尿病和过敏症的药物，其制备过程以及含有该化合物作为活性成分的制药组合物。