4-[(4-tert-butoxycarbonylamino-1-methyl-1H-imidazole-2-carbonyl)-amino]-1-methyl-1H-imidazole-2-carboxylic acid methyl ester | 500903-68-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-[(4-tert-butoxycarbonylamino-1-methyl-1H-imidazole-2-carbonyl)-amino]-1-methyl-1H-imidazole-2-carboxylic acid methyl ester
• 英文别名: methyl 4-(4-(tert-butoxycarbonylamino)-1-methyl-1H-imidazole-2-carboxamido)-1-methyl-1H-imidazole-2-carboxylate；methyl 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carbonyl]amino]imidazole-2-carboxylate
• CAS: 500903-68-4
• 化学式: C₁₆H₂₂N₆O₅
• 分子量: 378.388
• InChiKey: MAORUGSNMBVGHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  129
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-叔丁氧羰基氨基-1-甲基-1H-咪唑-2-甲酸 、 4-氨基-1-甲基-1H-咪唑2-羧酸甲酯 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以87%的产率得到4-[(4-tert-butoxycarbonylamino-1-methyl-1H-imidazole-2-carbonyl)-amino]-1-methyl-1H-imidazole-2-carboxylic acid methyl ester
  参考文献：
  名称：

  Stover, James S.; Shi, Jin; Jin, Wei, Journal of the American Chemical Society, 2009, vol. 131, p. 3342 - 3348

  摘要：

  DOI：

文献信息

• Alpha- haloenamine reagents
  申请人：Pharmacia Corporation

  公开号：US20030080320A1

  公开（公告）日：2003-05-01

  The present invention describes immobilized haloenamine reagents, immobilized tertiary amides, methods for their preparation, and methods of use.

  本发明描述了固定化的卤胺试剂、固定化的三级酰胺、其制备方法以及使用方法。
• [EN] NOVEL BENZODIAZEPINE DERIVATIVES<br/>[FR] NOUVEAUX DÉRIVÉS DE BENZODIAZÉPINE
  申请人：IMMUNOGEN INC

  公开号：WO2010091150A1

  公开（公告）日：2010-08-12

  The invention relates to novel benzodiazepine derivatives with antiproliferative activity and more specifically to novel benzodiazepines of formula (I) and (II), in which the diazepine ring (B) is fused with a heterocyclic ring (CD), wherein the heterocyclic ring is bicyclic or a compound of formula (III), in which the diazepine ring (B) is fused with a heterocyclic ring (C), wherein the heterocyclic ring is monocyclic. The invention provides cytotoxic dimers of these compounds. The invention also provides conjugates of the monomers and the dimers. The invention further provides compositions and methods useful for inhibiting abnormal cell growth or treating a proliferative disorder in a mammal using the compounds or conjugates of the invention. The invention further relates to methods of using the compounds or conjugates for in vitro, in situ, and in vivo diagnosis or treatment of mammalian cells, or associated pathological conditions.

  该发明涉及具有抗增殖活性的新型苯二氮䓬啶衍生物，更具体地涉及具有式(I)和(II)的新型苯二氮䓬啶化合物，其中二氮䓬啶环(B)与杂环环(CD)融合，其中杂环环是双环的或式(III)的化合物，其中二氮䓬啶环(B)与杂环环(C)融合，其中杂环环是单环的。该发明提供了这些化合物的细胞毒性二聚体。该发明还提供了单体和二聚体的结合物。该发明进一步提供了使用该发明的化合物或结合物抑制异常细胞生长或治疗哺乳动物增殖性疾病的有效组合物和方法。该发明还涉及使用该发明的化合物或结合物进行体外、原位和体内诊断或治疗哺乳动物细胞或相关病理条件的方法。
• Aromatic and heteroaromatic acid halides for synthesizing polyamides
  申请人：Pharmacia Corporation

  公开号：US20030105279A1

  公开（公告）日：2003-06-05

  The present invention is directed to protected amino acid halide monomers and oligomers, and to their use in the efficient sythesis of polyamides. The present invention is further directed to the use of &agr;-haloenamine reagents, which may optionally be immobilized, for the preparation of the amino acid halides.

  本发明涉及受保护的氨基酸卤代单体和寡聚体，以及它们在高效合成聚酰胺中的应用。本发明进一步涉及使用α-卤代胺试剂（可选择性固定）来制备氨基酸卤化物。
• Alpha-haloenamine reagents
  申请人：Pharmacia Corporation

  公开号：US20040092770A1

  公开（公告）日：2004-05-13

  The present invention describes immobilized haloenamine reagents, immobilized tertiary amides, methods for their preparation, and methods of use.

  本发明描述了固定化卤代烯胺试剂、固定化三级酰胺、它们的制备方法和使用方法。
• NOVEL BENZODIAZEPINE DERIVATIVES
  申请人：Li Wei

  公开号：US20100203007A1

  公开（公告）日：2010-08-12

  The invention relates to novel benzodiazepine derivatives with antiproliferative activity and more specifically to novel benzodiazepines of formula (I) and (II), in which the diazepine ring (B) is fused with a heterocyclic ring (CD), wherein the heterocyclic ring is bicyclic or a compound of formula (III), in which the diazepine ring (B) is fused with a heterocyclic ring (C), wherein the heterocyclic ring is monocyclic. The invention provides cytotoxic dimers of these compounds. The invention also provides conjugates of the monomers and the dimers. The invention further provides compositions and methods useful for inhibiting abnormal cell growth or treating a proliferative disorder in a mammal using the compounds or conjugates of the invention. The invention further relates to methods of using the compounds or conjugates for in vitro, in situ, and in vivo diagnosis or treatment of mammalian cells, or associated pathological conditions.

  本发明涉及具有抗增殖活性的新型苯二氮平衍生物，更具体地涉及公式（I）和（II）的新型苯二氮平，其中二氮平环（B）与杂环环（CD）融合，其中杂环环为双环或公式（III）的化合物，其中二氮平环（B）与杂环环（C）融合，其中杂环环为单环。本发明提供这些化合物的细胞毒性二聚体。本发明还提供单体和二聚体的结合物。本发明还提供使用该发明的化合物或结合物抑制异常细胞生长或治疗哺乳动物增殖性疾病的组合物和方法。本发明还涉及使用该化合物或结合物进行哺乳动物细胞的体外、原位和体内诊断或治疗，或相关病理条件的方法。