Hypoglycine B

• 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: Hypoglycine B
• 英文别名: (2S)-2-amino-5-[[(1S)-1-carboxy-2-[(1S)-2-methylidenecyclopropyl]ethyl]amino]-5-oxopentanoic acid
• 化学式: C₁₂H₁₈N₂O₅
• 分子量: 270.28
• InChiKey: UYDZYCPIQSRXKU-CIUDSAMLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.2
• 重原子数：
  19
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  130
• 氢给体数：
  4
• 氢受体数：
  6

ADMET

毒理性

• 毒性总结

通常，β-羟基异丁酸是一种氨基酸，与赖氨酸有化学上的关联。它能与赖氨酸分解代谢中使用的酶竞争性结合，这就是为什么它和其代谢产物甲基环丙基乙酸(MCPA)有毒的原因。代谢产物MCPA还是酰基辅酶A脱氢酶的强效抑制剂，阻止了脂肪酸的代谢。

Generally, hypoglycin is an amino acid and chemically related to lysine. It competitively binds to enzymes used in the catabolism of lysine and is the reason why it and its metabolitemethylene cyclopropyl acetic acid (MCPA) are toxic. The metabolite MCPA also is a potent inhibitor of acyl CoA dehydrogenase, preventing the metabolism of fatty acids.

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌物分类

对人类不具有致癌性（未被国际癌症研究机构IARC列名）。

No indication of carcinogenicity to humans (not listed by IARC).

来源:Toxin and Toxin Target Database (T3DB)

文献信息

• CONJUGATE-BASED ANTIFUNGAL AND ANTIBACTERIAL PRODRUGS
  申请人：Bapat Abhijit S.

  公开号：US20140364595A1

  公开（公告）日：2014-12-11

  The invention provides conjugate-based antifungal or antibacterial prodrugs formed by coupling at least one anti-fungal agent or antibacterial agent with at least one linker and/or carrier. The prodrugs are of formula: (i) (AFA) m -X-(L) n ; (ii) [(AFA) m′ -X] p -L; (iii) AFA-[X-(L) n′ ] q ; or (iv) (AFA) m″ -X, wherein: AFA is an antifungal agent or an antibacterial agent; L is a carrier; X is a linker; m ranges from 1 to 10; n ranges from 2 to 10; m′ is 1 to 10; p is 1 to 10; n′ is 1 to 10; and q is 1 to 10, provided that q′ and n are not both 1; and m″ is 1 to 10. The invention also provides nanoparticles comprising the conjugate-based prodrugs. Additionally, the invention also provides non-conjugated antifungal and antibacterial agents in the form of nanoparticles.

  该发明提供了由至少一种抗真菌剂或抗菌剂与至少一种连接剂和/或载体偶联形成的基于共轭的抗真菌或抗菌前药。这些前药的公式为：(i) (AFA) m -X-(L) n ; (ii) [(AFA) m′ -X] p -L; (iii) AFA-[X-(L) n′ ] q ; 或 (iv) (AFA) m″ -X，其中：AFA是抗真菌剂或抗菌剂；L是载体；X是连接剂；m范围从1到10；n范围从2到10；m′为1到10；p为1到10；n′为1到10；q为1到10，前提是q'和n不同时为1；m″为1到10。该发明还提供了包含基于共轭的前药的纳米粒子。此外，该发明还提供了以纳米粒子形式的非共轭抗真菌和抗菌剂。
• US9907812B2
  申请人：——

  公开号：US9907812B2

  公开（公告）日：2018-03-06
• [EN] CONJUGATE-BASED ANTIFUNGAL AND ANTIBACTERIAL PRODRUGS<br/>[FR] PROMÉDICAMENTS ANTIFONGIQUES ET ANTIBACTÉRIENS À BASE D'UN CONJUGUÉ
  申请人：VYOME BIOSCIENCES

  公开号：WO2012177986A2

  公开（公告）日：2012-12-27

  The invention provides conjugate-based antifungal or antibacterial prodrugs formed by coupling at least one antifungal agent or antibacterial agent with at least one linker and/or carrier. The prodrugs are of formula: (i) (AFA)m-X-(L)n; (ii) [(AFA)m'-X]p-L; (iii) AFA-[X-(L)n']q; or (iv) (AFA)m"-X, wherein: AFA is an antifungal agent or an antibacterial agent; L is a carrier; X is a linker; m ranges from 1 to 10; n ranges from 2 to 10; m' is 1 to 10; p is 1 to 10; n' is 1 to 10; and q is 1 to 10, provided that q' and n are not both 1; and m" is 1 to 10. The invention also provides nonaprticels comprising the conjugate-based prodrugs. Additonoally, the invention also provides non-conjugated antifungal and antibacterial agents in the form of nanoparticles.