3-(4-(N-生物素-6-氨基己羧基)苯基)丙酸 | 83592-10-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 生物素及其衍生物
• 中文名称: 3-(4-(N-生物素-6-氨基己羧基)苯基)丙酸
• 英文名称: 3-(4-(N-Biotinoyl-6-aminocaproyloxy)phenyl)propionic Acid
• 英文别名: 3-[4-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoyloxy]phenyl]propanoic acid
• CAS: 83592-10-3
• 化学式: C₂₅H₃₅N₃O₆S
• 分子量: 505.6
• InChiKey: OOTNIMUKQVRCGZ-SKPFHBQLSA-N

物化性质

• 熔点：
  199-200°C
• 沸点：
  826.8±65.0 °C(Predicted)
• 密度：
  1.225

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  35
• 可旋转键数：
  16
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  159
• 氢给体数：
  4
• 氢受体数：
  7

文献信息

• 8-ARM POLYETHYLENE GLYCOL DERIVATIVE, MANUFACTURING METHOD AND MODIFIED BIO-RELATED SUBSTANCE THEREBY
  申请人：Xiamen Sinopeg Biotech Co., Ltd.

  公开号：EP3315531A1

  公开（公告）日：2018-05-02

  Disclosed are an 8-arm polyethylene glycol (PEG) derivative (formula 1), manufacturing method and modified bio-related substance thereby, wherein a tetravalent group U and four trivalent groups Ec form a highly symmetric octavalent central structure CORE0 together, Lc connects the octavalent center to eight PEG arms having polydiversity or monodiversity and having n1-n8 as the degrees of polymerization thereof. The terminal of one PEG chain is connected to at least one functional group F (k ≥ 1), and said PEG chain and F can be directly connected (g = 0) or connected with a divalent linking group L0 connected with a terminal branched group G (g = 1) therebetween. The latter provides more reacting sites to combine more pharmaceutical molecules, thereby increasing the drug loading capacity. The near-center symmetric structure of the derivative allows more precise control over the molecular weight during large-scale production, thereby facilitating acquisition of a product having a narrower molecular weight distribution. A bio-related substance modified thereby has a more uniform and controllable performance.

  本发明公开了一种 8 臂聚乙二醇（PEG）衍生物（式 1）、其制造方法和改性生物相关物质，其中一个四价基团 U 和四个三价基团 Ec 共同形成一个高度对称的八价中心结构 CORE0，Lc 将八价中心连接到八个 PEG 臂上，这些 PEG 臂具有多元性或单元性，其聚合度为 n1-n8。一条 PEG 链的末端与至少一个官能团 F（k ≥ 1）相连，所述 PEG 链和 F 可以直接相连（g = 0），也可以通过二价连接基 L0 与中间的末端支化基 G（g = 1）相连。后者提供了更多的反应位点，可以结合更多的药物分子，从而提高药物负载能力。衍生物的近中心对称结构可以在大规模生产过程中更精确地控制分子量，从而有利于获得分子量分布更窄的产品。由此改性的生物相关物质具有更均匀、更可控的性能。
• Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof
  申请人：XIAMEN SINOPEG BIOTECH CO., LTD.

  公开号：US10434182B2

  公开（公告）日：2019-10-08

  Disclosed are an eight-arm polyethylene glycol (PEG) derivative (formula I), production method therefor and modified bio-related substance thereby. Wherein, one tetravalent group U together with four trivalent groups Ec form a highly symmetrical octavalent group CORE0; Lc connects the octavalent group to eight PEG chains having polydispersity or monodispersity and having n1 to n8 as the degree of polymerization thereof; the terminal of one PEG chain is connected to at least one functional group F (k≥1); said PEG chain and F therebetween can be directly connected (g=0) or be indirectly connected via a linking group L0 to a terminal end-branching group G (g=1); the latter provides more reactive sites for binding more drug molecules and increases the drug loading. The eight-arm polyethylene glycol derivative has a centrosymmetric or approximately centrosymmetric structure, and leads to more precise control of the molecular weight in large-scale production and much narrower distribution of molecular weight for products. The modified bio-related substance thereby has a more uniform and controllable performance.

  本发明公开了一种八臂聚乙二醇（PEG）衍生物（式 I）、其生产方法及其改性生物相关物质。其中，一个四价基团 U 与四个三价基团 Ec 形成一个高度对称的八价基团 CORE0；Lc 将八价基团连接到八条具有多分散性或单分散性且聚合度为 n1 至 n8 的 PEG 链上；一条 PEG 链的末端与至少一个官能团 F 连接（k≥1）；所述 PEG 链和 F 之间可以直接连接（g=0），也可以通过连接基团 L0 与末端支化基团 G 间接连接（g=1）；后者提供了更多的反应位点，可以结合更多的药物分子，增加药物负载量。八臂聚乙二醇衍生物具有中心对称或近似中心对称结构，因此在大规模生产中可以更精确地控制分子量，产品的分子量分布也更窄。因此，改性生物相关物质的性能更均匀、更可控。
• Multifunctionalized polyethylene glycol derivative and preparation method therefor
  申请人：XIAMEN SINOPEG BIOTECH CO., LTD.

  公开号：US11324827B2

  公开（公告）日：2022-05-10

  Disclosed are a multifunctionalized polyethylene glycol derivative and a preparation method therefor. The derivative has an H-shaped structure as represented by formula (1) and comprises one linear core LPEG and four PEG branch chains, where n1, n2, n3, and n4 respectively are the degrees of polymerization of the branch chains, U1 and U2 are trivalent branching groups connecting the core LPEG to two of the PEG branch chains, F1 and F2 contain a functional group or a protected form R01 thereof and may or may not contain a branched group G, correspondingly, the number of R01 is one or more, F1 and F2 are either identical or different, any one linking group in the molecule or any linking group formed with an adjacent heteroatom group can either remain stable or be degraded, and any one PEG segment in the molecule is discretely polydispersed or monodispersed. The multifunctional polyethylene glycol is flexible and diverse in terms of branch structures and the lengths of branching arms, has various parameters and performance indicators that are adjustable and easy to control, and has a broad applicability.

  本发明公开了一种多功能聚乙二醇衍生物及其制备方法。该衍生物具有由式（1）表示的 H 型结构，包括一个线性核心 LPEG 和四个 PEG 支链，其中 n1、n2、n3 和 n4 分别为支链的聚合度，U1 和 U2 为连接核心 LPEG 和两个 PEG 支链的三价支化基团、F1 和 F2 含有一个官能团或其保护形式 R01，可以含有或不含有支链基团 G，相应地，R01 的数目为一个或多个，F1 和 F2 要么相同要么不同，分子中的任何一个连接基团或与相邻杂原子基团形成的任何连接基团要么保持稳定，要么降解，分子中的任何一个 PEG 段离散多分散或单分散。多功能聚乙二醇的支链结构和支臂长度灵活多样，各种参数和性能指标可调且易于控制，具有广泛的适用性。
• MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR
  申请人：XIAMEN SINOPEG BIOTECH CO., LTD.

  公开号：US20170312363A1

  公开（公告）日：2017-11-02

  Disclosed are a multifunctionalized polyethylene glycol derivative and a preparation method therefor. The derivative has an H-shaped structure as represented by formula (1) and comprises one linear core LPEG and four PEG branch chains, where n 1 , n 2 , n 3 , and n 4 respectively are the degrees of polymerization of the branch chains, U 1 and U 2 are trivalent branching groups connecting the core LPEG to two of the PEG branch chains, F 1 and F 2 contain a functional group or a protected form R 01 thereof and may or may not contain a branched group G, correspondingly, the number of R 01 is one or more, F 1 and F 2 are either identical or different, any one linking group in the molecule or any linking group formed with an adjacent heteroatom group can either remain stable or be degraded, and any one PEG segment in the molecule is discretely polydispersed or monodispersed. The multifunctional polyethylene glycol is flexible and diverse in terms of branch structures and the lengths of branching arms, has various parameters and performance indicators that are adjustable and easy to control, and has a broad applicability.
• EIGHT-ARM POLYETHYLENE GLYCOL DERIVATIVE, PRODUCTION METHOD THEREFOR, AND MODIFIEDBIO-RELATEDSUBSTANCETHEREOF
  申请人：XIAMEN SINOPEG BIOTECH CO., LTD

  公开号：US20180214561A1

  公开（公告）日：2018-08-02

  Disclosed are an eight-arm polyethylene glycol (PEG) derivative (formula I), production method therefor and modified bio-related substance thereby. Wherein, one tetravalent group U together with four trivalent groups E c form a highly symmetrical octavalent group CORE 0 ; L c connects the octavalent group to eight PEG chains having polydispersity or monodispersity and having n 1 to n 8 as the degree of polymerization thereof; the terminal of one PEG chain is connected to at least one functional group F (k≥1); said PEG chain and F therebetween can be directly connected (g=0) or be indirectly connected via a linking group L 0 to a terminal end-branching group G (g=1); the latter provides more reactive sites for binding more drug molecules and increases the drug loading. The eight-arm polyethylene glycol derivative has a centrosymmetric or approximately centrosymmetric structure, and leads to more precise control of the molecular weight in large-scale production and much narrower distribution of molecular weight for products. The modified bio-related substance thereby has a more uniform and controllable performance.