1-(4-Methylpiperazin-1-yl)-2-(4-nitrophenyl)ethane-1,2-dione | 1615234-85-9

• 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: 1-(4-Methylpiperazin-1-yl)-2-(4-nitrophenyl)ethane-1,2-dione
• 英文别名: 1-(4-methylpiperazin-1-yl)-2-(4-nitrophenyl)ethane-1,2-dione
• CAS: 1615234-85-9
• 化学式: C₁₃H₁₅N₃O₄
• 分子量: 277.28
• InChiKey: LOWKTNUBBIEQOB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  86.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(4-Methylpiperazin-1-yl)-2-(4-nitrophenyl)ethane-1,2-dione 在 2,6-二甲基吡啶 、 lithium aluminium tetrahydride 、 palladium 10% on activated carbon 、 氢气 、 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 54.0h， 生成 [1-[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]pentanoyl]amino]phenyl]-2-(4-methylpiperazin-1-yl)-2-oxoethyl] (4-nitrophenyl) carbonate
  参考文献：
  名称：

  [EN] ANTI-FOLATE RECEPTOR APLHA (FRA) ANTIBODY-DRUG CONJUGATES AND METHODS OF USING THEREOF
  [FR] CONJUGUÉS MÉDICAMENT-ANTICORPS ANTI-RÉCEPTEUR ALPHA DU FOLATE (FRA) ET PROCÉDÉS POUR LES UTILISER

  摘要：

  本公开提供了含有亲水性自解链的抗叶酸受体α（FRA）抗体-药物偶联物。本公开还提供了用于治疗癌症的组合物和方法。

  公开号：

  WO2015196167A1
• 作为产物：
  描述：

  对硝基苯乙酮 在 吡啶 、 selenium(IV) oxide 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 1-(4-Methylpiperazin-1-yl)-2-(4-nitrophenyl)ethane-1,2-dione
  参考文献：
  名称：

  [EN] ANTIBODY-CONJUGATED CHEMICAL INDUCERS OF DEGRADATION OF BRM AND METHODS THEREOF
  [FR] INDUCTEURS CHIMIQUES DE DÉGRADATION DE BRM CONJUGUÉS À DES ANTICORPS ET MÉTHODES ASSOCIÉES

  摘要：

  本文描述的主题是针对BRM的抗体-CIDE偶联物（Ab-CIDEs），用于降解BRM，以及包含它们的药物组合物，以及它们在治疗BRM降解有益的疾病和症状中的应用。

  公开号：

  WO2022020288A1

文献信息

• [EN] ANTI-CD22 ANTIBODY-DRUG CONJUGATES AND METHODS OF USING THEREOF<br/>[FR] CONJUGUÉS ANTICORPS ANTI-CD22-MÉDICAMENT ET LEURS MÉTHODES D'UTILISATION
  申请人：BIOALLIANCE CV

  公开号：WO2015196089A1

  公开（公告）日：2015-12-23

  The present disclosure provides anti-CD22 antibody-drug conjugates comprising a hydrophilic self-immolative linker. The present disclosures further provide compositions and methods for treating cancers.

  本公开提供包含亲水性自解离连接剂的抗CD22抗体药物偶联物。本公开还提供用于治疗癌症的组合物和方法。
• [EN] HYDROPHILIC SELF-IMMOLATIVE LINKERS AND CONJUGATES THEREOF<br/>[FR] LIEURS AUTO-IMMOLABLES HYDROPHILES ET CONJUGUÉS DE CEUX-CI
  申请人：BIOALLIANCE CV

  公开号：WO2014100762A8

  公开（公告）日：2015-07-23
• HYDROPHILIC SELF-IMMOLATIVE LINKERS AND CONJUGATES THEREOF
  申请人：BioAlliance C.V.

  公开号：US20140193437A1

  公开（公告）日：2014-07-10

  The present disclosure provides compounds with a hydrophilic self-immolative linker, which is cleavable under appropriate conditions and incorporates a hydrophilic group to provide better solubility of the compound. The compounds of the present disclosure comprise a drug moiety, a targeting moiety capable of targeting a selected cell population, and a linker which contains an acyl unit, an optional spacer unit for providing distance between the drug moiety and the targeting moiety, a peptide linker which can be cleavable under appropriate conditions, a hydrophilic self-immolative linker, and an optional second self-immolative spacer or cyclization self-elimination linker.
• ANTI-FOLATE RECEPTOR ALPHA (FRA) ANTIBODY-DRUG CONJUGATES AND METHODS OF USING THEREOF
  申请人：BIOALLIANCE C.V.

  公开号：US20160015827A1

  公开（公告）日：2016-01-21

  The present disclosure provides anti-folate receptor alpha (FRA) antibody-drug conjugates comprising a hydrophilic self-immolative linker. The present disclosures further provide compositions and methods for treating cancers.
• HER2 ANTIBODY-DRUG CONJUGATES
  申请人：AbGenomics International Inc.

  公开号：US20160051695A1

  公开（公告）日：2016-02-25

  The present disclosure provides compounds with a hydrophilic self-immolative linker, which is cleavable under appropriate conditions and incorporates a hydrophilic group to provide better solubility of the compound. The compounds of the present disclosure comprise a drug moiety, a targeting moiety capable of targeting a selected cell population, and a linker which contains an acyl unit, an optional spacer unit for providing distance between the drug moiety and the targeting moiety, a peptide linker which can be cleaved under appropriate conditions, a hydrophilic self-immolative linker, and an optional second self-immolative spacer or cyclization self-elimination linker. In some aspects of the present disclosure, the targeting moiety is an anti-HER2 antibody. The present disclosure further provides compositions and methods for treating cancers.