1-acetyl-2-pyrrolidinethione | 2043-22-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 1-acetyl-2-pyrrolidinethione
• 英文别名: N-acetyl 2-thiopyrrolidone；N-Acetyl-2-thioxo-pyrrolidin；1-(2-Sulfanylidenepyrrolidin-1-yl)ethanone
• CAS: 2043-22-3
• 化学式: C₆H₉NOS
• 分子量: 143.21
• InChiKey: INIGDSSTUHUQTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  52.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-acetyl-2-pyrrolidinethione 、 1-Ethanethioylpyrrolidine-2-thione 以82%的产率得到
  参考文献：
  名称：

  ODA, KAZUAKI;MACHIDA, MINORU;KANAOKA, YUICHI, HETEROCYCLES, 27,(1988) N0, C. 2417-2422

  摘要：

  DOI：
• 作为产物：
  描述：

  乙酸酐 、 1-trimethylsilyl-2-pyrrolidinethione 反应 0.25h， 以96%的产率得到1-acetyl-2-pyrrolidinethione
  参考文献：
  名称：

  Sergeev, V. N.; Artamkin, S. A.; Pestunovich, S. V., Journal of general chemistry of the USSR, 1992, vol. 62, # 8, p. 1490 - 1497

  摘要：

  DOI：

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：US10660969B2

  公开（公告）日：2020-05-26

  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 与末端支化基 G（g=1）相连。后者提供了更多的反应位点，可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。
• Photochemistry of the N-Acyllactam and Acyclic Thioimide Systems. Competition between Paterno-Büchi Type and Norrish Type 1 Reactions
  作者：Kazuaki Oda、Minoru Machida、Yuichi Kanaoka

  DOI：10.3987/com-88-4649

  日期：——
• 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.