tert-butyl (S)-2-benzyl-2-((1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl)hydrazine-1- carboxylate | 130782-38-6

• 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: tert-butyl (S)-2-benzyl-2-((1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl)hydrazine-1- carboxylate
• 英文别名: 3-tert-butoxycarbonyl-2-benzylcarbazoyl-L-phenylalanine methyl ester；methyl (2S)-2-[[benzyl-[(2-methylpropan-2-yl)oxycarbonylamino]carbamoyl]amino]-3-phenylpropanoate
• CAS: 130782-38-6
• 化学式: C₂₃H₂₉N₃O₅
• 分子量: 427.5
• InChiKey: XSGUSSLCCJOBTQ-IBGZPJMESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  97
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 6.5h， 生成 tert-butyl (S)-2-benzyl-2-((1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl)hydrazine-1- carboxylate
  参考文献：
  名称：

  [EN] COMPOUNDS FOR USE IN SYNTHESIS OF PEPTIDOMIMETICS
  [FR] COMPOSÉS DESTINÉS À ÊTRE UTILISÉS DANS LA SYNTHÈSE DE PEPTIDOMIMÉTIQUES

  摘要：

  本文介绍了O-苯并三唑和O-咪唑合成物的合成方法。这些合成物可用于合成氮杂肽和其他肽类模拟物，同时也介绍了从这些合成物合成氮杂肽和其他肽类模拟物的方法，以及氮杂肽和其他肽类模拟物的用途。

  公开号：

  WO2020227594A1

文献信息

• 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。
• 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。
• Compounds for use in synthesis of peptidomimetics
  申请人：THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH

  公开号：US10919882B2

  公开（公告）日：2021-02-16

  Synthesis of O-benzotriazole and O-imidazole synthons are described. Uses of synthons in synthesis of azapeptides and other peptidomimetics, azapeptides and other peptidomimetics synthesized from the synthons and uses of azapeptides and other peptidomimetics are also described.

  描述了 O-苯并三唑和 O-咪唑合成物的合成。还介绍了合成子在合成偶氮肽和其他拟肽物中的用途、由合成子合成的偶氮肽和其他拟肽物以及偶氮肽和其他拟肽物的用途。
• COMPOUNDS FOR USE IN SYNTHESIS OF PEPTIDOMIMETICS
  申请人：THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH

  公开号：US20200354344A1

  公开（公告）日：2020-11-12

  Synthesis of O-benzotriazole and O-imidazole synthons are described. Uses of synthons in synthesis of azapeptides and other peptidomimetics, azapeptides and other peptidomimetics synthesized from the synthons and uses of azapeptides and other peptidomimetics are also described.
• US5202312A
  申请人：——

  公开号：US5202312A

  公开（公告）日：1993-04-13