4',5'-dihydro-4'-hydroxyascochlorin | 53730-27-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4',5'-dihydro-4'-hydroxyascochlorin
• 英文别名: 5-chloro-2,4-dihydroxy-3-[(E,4R)-4-hydroxy-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-2-enyl]-6-methylbenzaldehyde
• CAS: 53730-27-1
• 化学式: C₂₃H₃₁ClO₅
• 分子量: 422.949
• InChiKey: XFTFIFNAWKMLKL-BYJVVKNHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  94.8
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  chloronectrin 在 sodium hydroxide 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 2.0h， 以0.7 mg的产率得到4',5'-dihydro-4'-hydroxyascochlorin
  参考文献：
  名称：

  Ascochlorin derivatives from the leafhopper pathogenic fungus Microcera sp. BCC 17074

  摘要：

  从叶蝉病原体Microcera sp. BCC 17074的培养物中分离出两种新的ascochlorin衍生物，即nectchlorins A（1）和B（2），以及八种已知化合物（3-10）。根据核磁共振光谱和质谱数据阐明了这些化合物的结构。通过应用改良的Mosher方法确定了2的绝对构型。LL-Z 1272α环氧化物（9）是ascochlorin的一种可能的生物合成前体，其绝对构型通过化学相关性确定。评估了这些ascochlorin衍生物的细胞毒性活性。

  DOI：

  10.1038/ja.2014.90

文献信息

• MEROTERPENOID COMPOUNDS FOR USE IN THE PREVENTION AND TREATMENT OF A NEUROLOGICAL DISORDER
  申请人：SOCIETE DES PRODUITS NESTLE S.A.

  公开号：US20200405676A1

  公开（公告）日：2020-12-31

  The present invention relates to a compound, in particular a meroterpenoid compound, or salt thereof, for use in the prevention and/or treatment of a neurological disorder in an individual. The compound of the invention can promote lactate secretion. A composition comprising the compound of the invention, and a food or food extract enriched with said compound or composition is also provided.
• TARGETED TREATMENT OF AUTISM SPECTRUM DISORDER AND OTHER NEUROLOGICAL OR PSYCHIATRIC DISORDERS
  申请人：Tufts Medical Center, Inc.

  公开号：US20210228531A1

  公开（公告）日：2021-07-29

  Disclosed are methods of treating autism spectrum disorder (ASD) by administering a therapeutically effective amount of an isoprenoid antibiotic to subjects identified with a splicing defect in an ASD associated gene. The method of treating a subject with a neurological disease is carried out by identifying the subject comprising a splicing defect in an autism spectrum disorder (ASD)-associated gene, the target gene being characterized as having an hnRNP L binding site. The subject is treated by administering a spliceopathy rescue agent to repair the splicing defect. Also disclosed are methods of upregulating hnRNP L and hnRNP L targets by administering a therapeutically effective amount of an isoprenoid antibiotic. Methods of screening compounds for use in treating autism spectrum disorder (ASD) are also described.
• COMPOUNDS AND METHODS FOR THE TREATMENT OF AUTISM SPECTRUM DISORDER AND OTHER NEUROLOGICAL OR PSYCHIATRIC DISORDERS
  申请人：Tufts Medical Center, Inc.

  公开号：US20210236438A1

  公开（公告）日：2021-08-05

  Disclosed are methods of treating autism spectrum disorder (ASD) by administering a therapeutically effective amount of an isoprenoid antibiotic. Also disclosed are methods of modulating (either upregulation or downregulation) hnRNP L and hnRNP L targets by administering a therapeutically effective amount of an isoprenoid antibiotic. Methods of screening compounds for use in treating autism spectrum disorder (ASD) are also described.