3-oxo-1-phenyl-2,7,10,13,16,19,22,25,28-nonaoxa-4-azahentriacontan-31-oic acid | 1334177-87-5

• 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: 3-oxo-1-phenyl-2,7,10,13,16,19,22,25,28-nonaoxa-4-azahentriacontan-31-oic acid
• 英文别名: Cbz-N-amido-PEG8-acid；3-[2-[2-[2-[2-[2-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
• CAS: 1334177-87-5
• 化学式: C₂₇H₄₅NO₁₂
• 分子量: 575.654
• InChiKey: ISVOBOLHCFBPFZ-UHFFFAOYSA-N

物化性质

• 沸点：
  681.2±55.0 °C(Predicted)
• 密度：
  1.165±0.06 g/cm3(Predicted)
• 溶解度：
  溶于水、DMSO、DCM、DMF

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  40
• 可旋转键数：
  30
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  150
• 氢给体数：
  2
• 氢受体数：
  12

安全信息

• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  3-oxo-1-phenyl-2,7,10,13,16,19,22,25,28-nonaoxa-4-azahentriacontan-31-oic acid 在 水 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 、 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 32-(carboxymethyl)-3,31-dioxo-1-phenyl-2,7,10,13,16,19,22,25,28-nonaoxa-4,32-diazatetratriacontan-34-oic acid
  参考文献：
  名称：

  [EN] COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS
  [FR] COMPOSÉS ET MÉTHODES POUR LE TRAITEMENT D'INFECTIONS BACTÉRIENNES

  摘要：

  用于治疗细菌感染的组合物和方法包括含有环七肽二聚体与一个或多个单糖或寡糖基团结合的化合物。特别是，这些化合物可用于治疗由革兰氏阴性细菌引起的细菌感染。

  公开号：

  WO2018006063A1

文献信息

• [EN] COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTONS<br/>[FR] COMPOSITIONS ET PROCÉDÉS POUR LE TRAITEMENT D'INFECTIONS BACTÉRIENNES
  申请人：CIDARA THERAPEUTICS INC

  公开号：WO2020014469A1

  公开（公告）日：2020-01-16

  Compositions and methods for the treatment of bacterial infections including compounds containing dimers of cyclic heptapeptides. In particular, compounds can be used in the treatment of bacterial infections caused by Gram-negative bacteria.

  用于治疗细菌感染的组合物和方法，包括含有环七肽二聚体的化合物。特别地，这些化合物可用于治疗由革兰氏阴性细菌引起的细菌感染。
• [EN] PYRROLOBENZODIAZEPINE ANTIBODY CONJUGATES<br/>[FR] CONJUGUÉS ANTICORPS-PYRROLOBENZODIAZÉPINE
  申请人：MERSANA THERAPEUTICS INC

  公开号：WO2019126691A1

  公开（公告）日：2019-06-27

  The present disclosure relates generally to antibody-drug conjugates comprising pyrrolo[2, 1-c][1, 4]benzodiazepine (PBD) drug moieties. The present disclosure also relates to methods of using these conjugates, e.g., as therapeutics and/or diagnostics.

  本公开涉及一般含有吡咯并[2,1-c][1,4]苯二氮䓬（PBD）药物基团的抗体药物偶联物。本公开还涉及使用这些偶联物的方法，例如作为治疗和/或诊断。
• Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery
  作者：Jan Tykvart、Jiří Schimer、Jitka Bařinková、Petr Pachl、Lenka Poštová-Slavětínská、Pavel Majer、Jan Konvalinka、Pavel Šácha

  DOI：10.1016/j.bmc.2014.05.061

  日期：2014.8

  Glutamate carboxypeptidase II (GCPII), also known as prostate specific membrane antigen (PSMA), is an established prostate cancer marker and is considered a promising target for specific anticancer drug delivery. Low-molecular-weight inhibitors of GCPII are advantageous specific ligands for this purpose. However, they must be modified with a linker to enable connection of the ligand with an imaging molecule, anticancer drug, and/or nanocarrier. Here, we describe a structure-activity relationship (SAR) study of GCPII inhibitors with linkers suitable for imaging and drug delivery. Structure-assisted inhibitor design and targeting of a specific GCPII exosite resulted in a 7-fold improvement in Ki value compared to the parent structure. X-ray structural analysis of the inhibitor series led to the identification of several inhibitor binding modes. We also optimized the length of the inhibitor linker for effective attachment to a biotin-binding molecule and showed that the optimized inhibitor could be used to target nanoparticles to cells expressing GCPII.
• [EN] COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS<br/>[FR] COMPOSITIONS ET MÉTHODES DE TRAITEMENT D'INFECTIONS BACTÉRIENNES
  申请人：CIDARA THERAPEUTICS INC

  公开号：WO2018128826A8

  公开（公告）日：2018-10-11
• [EN] FIBROBLAST ACTIVATION PROTEIN-TARGETED COMPOSITIONS AND METHODS OF USE THEREOF<br/>[FR] COMPOSITIONS CIBLANT DES PROTÉINES D'ACTIVATION DES FIBROBLASTES ET LEURS MÉTHODES D'UTILISATION
  申请人：[en]RATIO THERAPEUTICS, INC.

  公开号：WO2024026072A1

  公开（公告）日：2024-02-01

  Disclosed are compounds, compositions, and methods useful for imaging and treating tumor cells in a subject. In particular, the compounds have the structure of Formula I is useful in the dislocsed imaging methods : (I). The variables in Formula (I) are defined herein.