[1-[4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]-2-(4-methylpiperazin-1-yl)-2-oxoethyl] N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate | 1615234-89-3

• 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: [1-[4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]-2-(4-methylpiperazin-1-yl)-2-oxoethyl] N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate
• CAS: 1615234-89-3
• 化学式: C₆₆H₁₀₃N₁₃O₁₂S
• 分子量: 1302.69
• InChiKey: TZBYXBXVDKQXKM-AZBLDZPISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  92
• 可旋转键数：
  34
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  351
• 氢给体数：
  7
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  马来酰亚胺丙酰基-dPEG4-NHS 、 [1-[4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]-2-(4-methylpiperazin-1-yl)-2-oxoethyl] N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate 在 碳酸氢钠 作用下， 以 乙腈 为溶剂， 反应 12.0h， 生成 Tap-18H
  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：

  在 三氟乙酸 作用下， 反应 12.0h， 以100%的产率得到[1-[4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]-2-(4-methylpiperazin-1-yl)-2-oxoethyl] N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate
  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

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：US20150352222A1

  公开（公告）日：2015-12-10

  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.
• ANTI-CD22 ANTIBODY-DRUG CONJUGATES AND METHODS OF USING THEREOF
  申请人：BioAlliance C.V.

  公开号：US20160015831A1

  公开（公告）日：2016-01-21

  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.