Benzyl thioglycolate | 168030-27-1

• 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: Benzyl thioglycolate
• 英文别名: S-benzylthioglycolic acid；Ethanethioic acid, hydroxy-, S-(phenylmethyl) ester；S-benzyl 2-hydroxyethanethioate
• CAS: 168030-27-1
• 化学式: C₉H₁₀O₂S
• 分子量: 182.243
• InChiKey: UBQBDDWEGGMQML-UHFFFAOYSA-N

物化性质

• 沸点：
  300.8±35.0 °C(Predicted)
• 密度：
  1.236±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  62.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  乙酸氯甲酯 、 Benzyl thioglycolate 在 三乙醇胺 作用下， 以 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 生成 S-benzylthioglycoloyloxymethyl acetate
  参考文献：
  名称：

  Novel acetyloxymethyl esters and methods for using the same

  摘要：

  本发明揭示了新型的醋氧甲基酯类化合物，以及使用这些化合物治疗疾病（包括癌症、血液学疾病和遗传代谢性疾病）以及治疗或改善其他疾病的方法。这些化合物在抑制组蛋白去乙酰化酶方面具有有效性。

  公开号：

  US20020119996A1
• 作为产物：
  描述：

  [Bis-(4-methoxy-phenyl)-phenyl-methoxy]-thioacetic acid S-benzyl ester 在 二氯乙酸 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 0.5h， 生成 Benzyl thioglycolate
  参考文献：
  名称：

  Imidazole Tethered Oligodeoxyribonucleotides: Synthesis and RNA Cleaving Activity

  摘要：

  A solid support (3) and a non-nucleosidic phosphoramidite building block (4), both containing a thioester bond is their structure, were synthesized. They were used in the preparation of oligonucleotides tethered to an imidazole group at their 3'- or 5'-terminus, as well as at the 1'-position of nonterminal 3'-deoxypsicothymidine units. The desired functional groups were introduced during the deprotection of the oligonucleotide by using the primary amino group of histamine or 1-(3-aminopropyl)imidazole as a nucleophile. The ability of the tethered oligonucleotides to hydrolyze complementary RNA strands was tested. Of the oligonucleotides prepared, 12b, bearing a histamine group at the 3'-end, was shown to promote a sequence specific strand scission of RNA in the presence of Zn2+ ions.

  DOI：

  10.1021/jo00112a047

文献信息

• Histone deacetylase inhibitors
  申请人：CircaGen Pharmaceutical, a Delaware corporation

  公开号：US20020143037A1

  公开（公告）日：2002-10-03

  Histone deacetylase is a metallo-enzyme with zinc at the active site. Compounds having a zinc-binding moiety, such as, for example, a carboxylic acid group, can inhibit histone deacetylase. Histone deacetylase inhibition can repress gene expression, including expression of genes related to tumor suppression. Accordingly, inhibition of histone deacetylase can provide an alternate route for treating cancer, hematological disorders, e.g., hemoglobinopathies, and genetic related metabolic disorders, e.g., cystic fibrosis and adrenoleukodystrophy.

  组蛋白去乙酰化酶是一种在活性位点含锌的金属酶。具有锌结合基团的化合物，例如，羧酸基团，可以抑制组蛋白去乙酰化酶。组蛋白去乙酰化酶的抑制可以抑制基因表达，包括与肿瘤抑制相关的基因的表达。因此，抑制组蛋白去乙酰化酶可以提供治疗癌症、血液学疾病（例如血红蛋白病）以及遗传相关代谢性疾病（例如囊性纤维化和肾上腺白质脑病）的另一途径。
• A METHOD OF PRODUCING A MULTIMERIC CAPTURE AGENT FOR BINDING A LIGAND
  申请人：Sharp Kabushiki Kaisha

  公开号：EP1969371B1

  公开（公告）日：2012-05-16
• Imidazole Tethered Oligodeoxyribonucleotides: Synthesis and RNA Cleaving Activity
  作者：Jari Hovinen、Andrei Guzaev、Elena Azhayeva、Alex Azhayev、Harri Lonnberg

  DOI：10.1021/jo00112a047

  日期：1995.4

  A solid support (3) and a non-nucleosidic phosphoramidite building block (4), both containing a thioester bond is their structure, were synthesized. They were used in the preparation of oligonucleotides tethered to an imidazole group at their 3'- or 5'-terminus, as well as at the 1'-position of nonterminal 3'-deoxypsicothymidine units. The desired functional groups were introduced during the deprotection of the oligonucleotide by using the primary amino group of histamine or 1-(3-aminopropyl)imidazole as a nucleophile. The ability of the tethered oligonucleotides to hydrolyze complementary RNA strands was tested. Of the oligonucleotides prepared, 12b, bearing a histamine group at the 3'-end, was shown to promote a sequence specific strand scission of RNA in the presence of Zn2+ ions.
• Novel acetyloxymethyl esters and methods for using the same
  申请人：Beacon Laboratories, a Delaware corporation

  公开号：US20020119996A1

  公开（公告）日：2002-08-29

  Novel acetyloxymethyl esters are disclosed. Methods of treating an illness, including cancer, hemological disorders and inherited metabolic disorders, and treating or ameliorating other conditions using these compounds are also disclosed. The compounds are effective in the inhibition of histone deacetylase.

  本发明揭示了新型的醋氧甲基酯类化合物，以及使用这些化合物治疗疾病（包括癌症、血液学疾病和遗传代谢性疾病）以及治疗或改善其他疾病的方法。这些化合物在抑制组蛋白去乙酰化酶方面具有有效性。