(2R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2R)-3-carboxy-1-[[(2R)-1-[[(2R)-3-carboxy-1-[[(2R)-3-carboxy-1-[[(1S)-1-carboxy-2-sulfanylethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid | 926623-15-6

• 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: (2R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2R)-3-carboxy-1-[[(2R)-1-[[(2R)-3-carboxy-1-[[(2R)-3-carboxy-1-[[(1S)-1-carboxy-2-sulfanylethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
• CAS: 926623-15-6
• 化学式: C₄₀H₅₁N₁₅O₁₇S
• 分子量: 1046.0
• InChiKey: RNDCKROBKFEYEB-TZNXUKFXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6.2
• 重原子数：
  73
• 可旋转键数：
  30
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  532
• 氢给体数：
  17
• 氢受体数：
  23

反应信息

• 作为产物：
  描述：

  N¹⁰-TFA-pteroic acid 、 、 Fmoc-L-天冬氨酸 beta-叔丁酯 、 N-芴甲氧羰基-D-天冬氨酸-4-叔丁酯 、 N-芴甲氧羰基-D-谷氨酸 gamma-叔丁酯 、 N’-[(2,3-二氢-2,2,4,6,7-五甲基苯并呋喃-5-基)磺酰基]-N-芴甲氧羰基-D-精氨酸 生成 (2R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2R)-3-carboxy-1-[[(2R)-1-[[(2R)-3-carboxy-1-[[(2R)-3-carboxy-1-[[(1S)-1-carboxy-2-sulfanylethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Binding ligand linked drug delivery conjugates of tubulysins
  申请人：Leamon Christopher Paul

  公开号：US20130116195A1

  公开（公告）日：2013-05-09

  Described herein are compounds, pharmaceutical compositions, and methods for treating pathogenic cell populations. Kits including the compounds or pharmaceutical compositions are described. The compounds described herein include conjugates of tubulysins and folates. The conjugates also include a releasable bivalent linker.

  本文描述了化合物、药物组合物和治疗病原细胞群的方法。还描述了包含这些化合物或药物组合物的试剂盒。本文所述的化合物包括管藻菌素和叶酸的结合物。这些结合物还包括可释放的双价连接剂。
• Multi-Drug Ligand Conjugates
  申请人：Vlahov Iontcho Radoslavov

  公开号：US20080248052A1

  公开（公告）日：2008-10-09

  Described herein are compounds, pharmaceutical compositions and methods for treating pathogenic cell populations in a patient. The compounds described herein include conjugates of a plurality of cytotoxic drugs and vitamin receptor binding ligands. The plurality of drugs may be the same or different. Similarly, the vitamin receptor binding ligands may be the same or different. The conjugates also include a linker that is formed from one or more spacer linkers, heteroatom linkers, and releasable linkers.
• Ligand Conjugates of Vinca Alkaloids, Analogs, and Derivatives
  申请人：Leamon Christopher Paul

  公开号：US20080280937A1

  公开（公告）日：2008-11-13

  Described herein are compounds, pharmaceutical compositions and methods for treating pathogenic cell populations in a patient. The compounds described herein include conjugates of cytotoxic drugs and vitamin receptor binding ligands. The conjugates also include a linker that is formed from one or more spacer linkers, heteroatom linkers, and releasable linkers.
• BINDING LIGAND LINKED DRUG DELIVERY CONJUGATES OF TUBULYSINS
  申请人：Vlahov Iontcho Radoslavov

  公开号：US20100048490A1

  公开（公告）日：2010-02-25

  Described herein are compounds, pharmaceutical compositions and methods for treating pathogenic cell populations. The compounds described herein include conjugates of tubulysins and vitamin receptor binding ligands. The conjugates also include a releasable bivalent linker.
• METHODS AND COMPOSITIONS FOR TREATING AND DIAGNOSING KIDNEY DISEASE
  申请人：Leamon Christopher Paul

  公开号：US20100104626A1

  公开（公告）日：2010-04-29

  The invention relates to a method for diagnosing a kidney disease state. The method comprises the steps of administering to a patient a composition comprising a conjugate or complex of the general formula V-L-D where the group V comprises a vitamin receptor binding ligand that binds to kidney proximal tubule cells and the group D comprises a diagnostic marker, and diagnosing the kidney disease state. The invention also relates to a method for treating a kidney disease state. The method comprises the steps of administering to a patient suffering from the disease state an effective amount of a composition comprising a conjugate or complex of the general formula V-L-D where the group V comprises a vitamin receptor binding ligand that binds to kidney proximal tubule cells and the group D comprises an antigen, a cytotoxin, or a cell growth inhibitor, and eliminating the disease state.