(4S)-4-amino-5-[(2R)-1-[(2S)-1-[(2S)-1-[2-[(2S)-2-[N-[(2R)-1-[(2R)-1-[(2S)-1-[(2S)-1-[(2R)-1-[(2S)-6-amino-1-[(2S)-1-[(2S)-1-[(2S)-6-amino-1-[(2S)-1-[2-[(2S,3R)-1-[(2S,3S)-1-[(2R)-1-[(2S)-6-amino-1-[(2S)-1-[(2S)-1-[(2S)-1-[2-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2R)-1-[(2S)-1-[2-[(2S)-6-amino-1-[(2S,3R)-1-[(2R)-1-[(2S)-1-[(2R)-1-[(2S)-2-[N-[(2S)-1-[(2S)-1-[(2S)-2-[N-[(2S)-1-[(2S)-6-amino-1-[2-[(2S)-2-[N-[(2S)-1-[(1S,2R)-1-carboxy-2-hydroxypropyl]imino-1-hydroxypropan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-2-oxoethyl]imino-1-hydroxyhexan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-4-hydroxy-4-imino-1-oxobutan-2-yl]imino-5-carbamimidamido-1-hydroxypentan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-1-hydroxy-3-sulfanylpropan-2-yl]imino-1,3-dihydroxybutan-2-yl]imino-1-hydroxyhexan-2-yl]imino-2-hydroxyethyl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxy-3-sulfanylpropan-2-yl]imino-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-1-hydroxy-4-methylsulfanylbutan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-2-hydroxyethyl]imino-5-carbamimidamido-1-hydroxypentan-2-yl]imino-1-hydroxypropan-2-yl]imino-5-carbamimidamido-1-hydroxypentan-2-yl]imino-1-hydroxyhexan-2-yl]imino-1-hydroxy-3-sulfanylpropan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-1,3-dihydroxybutan-2-yl]imino-2-hydroxyethyl]imino-4-carboxy-1-hydroxybutan-2-yl]imino-1-hydroxyhexan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1-hydroxyhexan-2-yl]imino-1-hydroxy-3-sulfanylpropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-5-carbamimidamido-1-hydroxypentan-2-yl]imino-1-hydroxy-3-sulfanylpropan-2-yl]imino-1-hydroxy-3-sulfanylpropan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-2-oxoethyl]imino-1,3-dihydroxypropan-2-yl]imino-4-carboxy-1-hydroxybutan-2-yl]imino-1-hydroxy-3-sulfanylpropan-2-yl]imino-5-hydroxypentanoic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: (4S)-4-amino-5-[(2R)-1-[(2S)-1-[(2S)-1-[2-[(2S)-2-[N-[(2R)-1-[(2R)-1-[(2S)-1-[(2S)-1-[(2R)-1-[(2S)-6-amino-1-[(2S)-1-[(2S)-1-[(2S)-6-amino-1-[(2S)-1-[2-[(2S,3R)-1-[(2S,3S)-1-[(2R)-1-[(2S)-6-amino-1-[(2S)-1-[(2S)-1-[(2S)-1-[2-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2R)-1-[(2S)-1-[2-[(2S)-6-amino-1-[(2S,3R)-1-[(2R)-1-[(2S)-1-[(2R)-1-[(2S)-2-[N-[(2S)-1-[(2S)-1-[(2S)-2-[N-[(2S)-1-[(2S)-6-amino-1-[2-[(2S)-2-[N-[(2S)-1-[(1S,2R)-1-carboxy-2-hydroxypropyl]imino-1-hydroxypropan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-2-oxoethyl]imino-1-hydroxyhexan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-4-hydroxy-4-imino-1-oxobutan-2-yl]imino-5-carbamimidamido-1-hydroxypentan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-1-hydroxy-3-sulfanylpropan-2-yl]imino-1,3-dihydroxybutan-2-yl]imino-1-hydroxyhexan-2-yl]imino-2-hydroxyethyl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxy-3-sulfanylpropan-2-yl]imino-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-1-hydroxy-4-methylsulfanylbutan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-2-hydroxyethyl]imino-5-carbamimidamido-1-hydroxypentan-2-yl]imino-1-hydroxypropan-2-yl]imino-5-carbamimidamido-1-hydroxypentan-2-yl]imino-1-hydroxyhexan-2-yl]imino-1-hydroxy-3-sulfanylpropan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-1,3-dihydroxybutan-2-yl]imino-2-hydroxyethyl]imino-4-carboxy-1-hydroxybutan-2-yl]imino-1-hydroxyhexan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1-hydroxyhexan-2-yl]imino-1-hydroxy-3-sulfanylpropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-5-carbamimidamido-1-hydroxypentan-2-yl]imino-1-hydroxy-3-sulfanylpropan-2-yl]imino-1-hydroxy-3-sulfanylpropan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-2-oxoethyl]imino-1,3-dihydroxypropan-2-yl]imino-4-carboxy-1-hydroxybutan-2-yl]imino-1-hydroxy-3-sulfanylpropan-2-yl]imino-5-hydroxypentanoic acid
• 化学式: C₂₁₇H₃₄₉N₇₁O₇₄S₉
• 分子量: 5425.0
• InChiKey: XLBBKEHLEPNMMF-SSUNCQRMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -39.9
• 重原子数：
  371
• 可旋转键数：
  183
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  2390
• 氢给体数：
  88
• 氢受体数：
  94

文献信息

• ADMINISTRATION OF AN ANTAGONIST OF ALPHA 5 BETA1 FOR ANTI-ANTIOGENESIS AND CANCER TREATMENT
  申请人：California Northstate College Of Pharmacy, LLC

  公开号：EP3777877A1

  公开（公告）日：2021-02-17

  The teachings provided herein generally relate to a combination therapy and are directed to pharmaceutical compositions and methods for administering a combination of an α5β1 antagonist with an α2β1 antagonist to a subject. The methods are for use in inhibiting, preventing, or reversing angiogenesis, as well as in treating cancer. In some embodiments, the compositions and methods include a combined administration of VLO4 and VP12 (ECL12).

  本文所提供的教导一般与联合疗法有关，并针对向受试者施用α5β1拮抗剂与α2β1拮抗剂组合的药物组合物和方法。这些方法可用于抑制、预防或逆转血管生成以及治疗癌症。在某些实施方案中，组合物和方法包括 VLO4 和 VP12（ECL12）的联合给药。
• Anti-angiogenic treatment of endothelial tissue with a combination of antagonists
  申请人：CALIFORNIA NORTHSTATE COLLEGE OF PHARMACY

  公开号：US10722555B2

  公开（公告）日：2020-07-28

  The teachings provided herein generally relate to a combination therapy and are directed to pharmaceutical compositions and methods for administering a combination of an α5β1 antagonist with an α2β1 antagonist to a subject. The methods are for use in inhibiting, preventing, or reversing angiogenesis, as well as in treating cancer. In some embodiments, the compositions and methods include a combined administration of VLO4 and VP12 (ECL12).

  本文所提供的教导一般与联合疗法有关，并针对向受试者施用α5β1拮抗剂与α2β1拮抗剂组合的药物组合物和方法。这些方法可用于抑制、预防或逆转血管生成以及治疗癌症。在某些实施方案中，组合物和方法包括 VLO4 和 VP12（ECL12）的联合给药。
• Inhibiting sprout angiogenesis
  申请人：CALIFORNIA NORTHSTATE COLLEGE OF PHARMACY, LLC

  公开号：US10786548B2

  公开（公告）日：2020-09-29

  The teachings generally relate to a combination therapy and are directed to pharmaceutical compositions and methods for administering a combination of an αvβ3 antagonist with an α2β1 antagonist to a subject. The methods are for use in inhibiting, preventing, or reversing angiogenesis, as well as in treating cancer. In some embodiments, the compositions and methods include a combined administration of echistatin and VP12 (ECL12).

  本教导一般涉及一种组合疗法，针对的是向受试者施用αvβ3拮抗剂与α2β1拮抗剂组合的药物组合物和方法。这些方法可用于抑制、预防或逆转血管生成以及治疗癌症。在一些实施方案中，组合物和方法包括埃希司他丁和 VP12（ECL12）的联合给药。
• Compositions for inhibiting sprout angiogenesis
  申请人：CALIFORNIA NORTHSTATE COLLEGE OF PHARMACY, LLC

  公开号：US10973877B2

  公开（公告）日：2021-04-13

  The teachings provided herein generally relate to a combination therapy and are directed to pharmaceutical compositions and methods for administering a combination of an αvβ3 antagonist with an α2β1 antagonist to a subject. The methods are for use in inhibiting, preventing, or reversing angiogenesis, as well as in treating cancer. In some embodiments, the compositions and methods include a combined administration of echistatin and VP12 (ECL12).

  本文所提供的教导一般与联合疗法有关，并针对向受试者施用αvβ3拮抗剂与α2β1拮抗剂组合的药物组合物和方法。这些方法可用于抑制、预防或逆转血管生成以及治疗癌症。在一些实施方案中，组合物和方法包括埃希司他丁和 VP12（ECL12）的联合给药。
• Anti-angiogenic treatment with a combination of antagonists
  申请人：CALIFORNIA NORTHSTATE COLLEGE OF PHARMACY

  公开号：US11318184B2

  公开（公告）日：2022-05-03

  The teachings provided herein generally relate to a combination therapy and are directed to pharmaceutical compositions and methods for administering a combination of an α5β1 antagonist with an α2β1 antagonist to a subject. The methods are for use in inhibiting, preventing, or reversing angiogenesis, as well as in treating cancer. In some embodiments, the compositions and methods include a combined administration of VLO4 and VP12 (ECL12).

  本文所提供的教导一般与联合疗法有关，并针对向受试者施用α5β1拮抗剂与α2β1拮抗剂组合的药物组合物和方法。这些方法可用于抑制、预防或逆转血管生成以及治疗癌症。在某些实施方案中，组合物和方法包括 VLO4 和 VP12（ECL12）的联合给药。