5-chloro-2,2'-dithio(bisbenzoyl chloride) | 64015-88-9

• 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: 5-chloro-2,2'-dithio(bisbenzoyl chloride)
• 英文别名: 2,2'-dithiobis(5-chlorobenzoyl chloride)；5,5'-dichloro-2,2'-disulfanediyl-bis-benzoyl chloride；4,4'-Dichlor-diphenyldisulfid-2,2'-dicarbonsaeure-dichlorid；4,4'-Dichlor-2,2'-bis-chlorcarbonyl-diphenyldisulfid；4,4'-Dichlor-2,2'-dichlorcarbonyl-diphenyldisulfid；2-[(2-Carbonochloridoyl-4-chlorophenyl)disulfanyl]-5-chlorobenzoyl chloride
• CAS: 64015-88-9
• 化学式: C₁₄H₆Cl₄O₂S₂
• 分子量: 412.144
• InChiKey: DMBDGPWQJPOPEH-UHFFFAOYSA-N

物化性质

• 沸点：
  486.0±45.0 °C(Predicted)
• 密度：
  1.65±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  84.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-chloro-2,2'-dithio(bisbenzoyl chloride) 在 氨 作用下， 以 1,4-二氧六环 为溶剂， 生成 2.2'-Dicarbamoyl-4.4'-dichlor-diphenyldisulfid
  参考文献：
  名称：

  PONCI; BARUFFINI; BORGNA, Farmaco, Edizione Scientifica, 1964, vol. 19, p. 356 - 376

  摘要：

  DOI：
• 作为产物：
  描述：

  2-[(2-羧基-4-氯苯基)二硫烷基]-5-氯苯甲酸 在 氯化亚砜 、 N,N-二甲基甲酰胺 作用下， 以 甲苯 为溶剂， 反应 20.0h， 以46%的产率得到5-chloro-2,2'-dithio(bisbenzoyl chloride)
  参考文献：
  名称：

  作为潜在的抗精神病药的瑞莫必利的构象受限类似物。

  摘要：

  合成了几种（S）-3-溴-N-（（1-乙基-2-吡咯烷基）甲基）-2,6-二甲氧基苯甲酰胺（雷莫昔必）的构象受限衍生物，并在体外评估了其抑制[3H]的能力。雷卡必利与多巴胺D-2受体结合。设计用来模拟去甲基瑞昔必利（4，FLA-797）的分子内氢键的环状苯甲酰胺包括2,3-二氢-4H-1,3-苯并恶嗪-4-酮，2,3-二氢-4H-1,3-苯并噻嗪-4-酮，邻苯二甲酰亚胺，1-异吲哚啉酮，1,2-苯并噻唑-3（2H）-和1,2-苯并噻唑-3（2H）-1,1-二氧化物。在该系列中，未观察到对多巴胺D-2受体的亲和力增强。邻苯二甲酰亚胺类似物24b（（S）-6-氯-2-（1-乙基吡咯烷基）-1-异吲哚啉酮）对多巴胺D-2受体表现出最高的亲和力，IC50为1.3 microM，与雷莫昔芬相当。

  DOI：

  10.1021/jm00074a023

文献信息

• Anti-auxin effects of 3-oxo-1,2-benzisothiazolin-2-ylalkanoic acids
  作者：Donata Ricci、Cesare A. Maggiali、Giovanni Morini、Ferdinando Ronchini

  DOI：10.1016/0031-9422(90)87076-7

  日期：1990.1

  Abstract Some 3-oxo-1,2-benzisothiazolin-2-ylalkanoic acids were synthesized in order to gain further information on the role of the 3-oxo-benzisothiazoline ring in anti-auxin structure/activity relationships. The anti-auxin activity was examined in relation to inhibition of flax root growth and on the interaction of the newly synthesized compounds with IAA in the pea test using short term kinetics

  摘要 为了进一步了解 3-氧代-苯并异噻唑啉环在抗生长素结构/活性关系中的作用，合成了一些 3-氧代-1,2-苯并异噻唑啉-2-基链烷酸。在豌豆试验中使用短期动力学研究了与亚麻根生长的抑制以及新合成的化合物与 IAA 的相互作用相关的抗生长素活性。所有测试的化合物都是活性抗生长素。2-(6-chloro-3-oxo-1,2-benziisothiazolin-2-yl) 丙酸显示出最大的活性。
• Synthesis and antibacterial activity of 2,2'-dithiobis(benzamide) derivatives against Mycobacterium species
  作者：Ryo Okachi、Hideki Niino、Kozo Kitaura、Kazuyuki Mineura、Yoshinobu Nakamizo、Yo Murayama、Takeshi Ono、Akio Nakamizo

  DOI：10.1021/jm00150a006

  日期：1985.12

  tested for in vitro antibacterial activity against Mycobacterium tuberculosis H37Rv including resistant strains against streptomycin, kanamycin, or isonicotinic acid hydrazide. MICs of these compounds against atypical mycobacteria, Mycobacterium kansasii and Mycobacterium intracellulare were also examined. Structure-activity relationships were found in a series of (acyloxy)alkyl ester derivatives depending

  合成了2,2'-二硫代双（苯甲酰胺）类似物的一系列化合物，并测试了其对结核分枝杆菌H37Rv的体外抗菌活性，包括对链霉素，卡那霉素或异烟酸酰肼的抗性菌株。还检查了这些化合物对非典型分枝杆菌，堪萨斯分枝杆菌和胞内分枝杆菌的MIC。在一系列（酰氧基）烷基酯衍生物中发现了结构-活性关系，这取决于烷基碳链的长度。最有效的化合物2,2'-二硫代双[N- [3-（癸酰氧基）丙基]苯甲酰胺] [56]的MIC优于或至少等同于链霉素，卡那霉素和乙胺丁醇。在目前的抗结核药之间，所有化合物均无交叉抗性。
• 2,2'-Dithiodibenzamides as inhibitors of blood platelet aggregation.
  作者：KOJI YAMADA、HIDEKI NIINO、TAMOTSU HASHIMOTO、KATSUICHI SHUTO、NOBUHIRO NAKAMIZO、KAZUHIRO KUBO、TAKESHI ONO、AKIO NAKAMIZO、YO MURAYAMA

  DOI：10.1248/cpb.33.1214

  日期：——

  New and known analogues of 2, 2'-dithiodibenzamide were synthesized and tested for various pharmacological actions. This series of compounds was found to inhibit collagen-and adenosine 5'-diphosphate-induced aggregations of blood platelets. 2, 2'-Dithiobis (N-(2-hydroxypropyl) benzamide) (3, KF4939) was one of the most potent compounds in in vitro aggregometry studies. Compound 3 after oral administration also potently inhibited pulmonary thrombosis induced by arachidonic acid injection in mice and platelet aggregation ex vivo in rats. This compound may have clinical value as a new orally active inhibitor of platelet aggregation.

  新合成了已知的2,2'-二硫代二苯甲酰胺类似物，并测试了它们的多种药理作用。发现这一系列化合物能抑制胶原和5'-二磷酸腺苷诱导的血小板聚集。2,2'-二硫代双（N-(2-羟丙基)苯甲酰胺）（3，KF4939）是在体外聚集实验中活性最强的化合物之一。3号化合物经口服给药后，也能强效抑制小鼠由花生四烯酸注射引起的肺血栓形成和大鼠离体血小板聚集。该化合物可能具有临床价值，是一种新型口服活性血小板聚集抑制剂。
• Thiazolothiazepine Inhibitors of HIV-1 Integrase
  作者：Nouri Neamati、Jim A. Turpin、Heather E. Winslow、John L. Christensen、Karen Williamson、Ann Orr、William G. Rice、Yves Pommier、Antonio Garofalo、Antonella Brizzi、Giuseppe Campiani、Isabella Fiorini、Vito Nacci

  DOI：10.1021/jm990047z

  日期：1999.8.1

  A series of thiazolothiazepines were prepared and tested against purified human immunodeficiency virus type-1 integrase (HIV-1 IN) and viral replication. Structure-activity studies reveal that the compounds possessing the pentatomic moiety SC(O)CNC(O) with two carbonyl groups are in general more potent against purified IN than those containing only one carbonyl group. Substitution with electron-donating or -withdrawing groups did not enhance nor abolish potency against purified IN. By contrast, compounds with a naphthalene ring system showed enhanced potency, suggesting that a hydrophobic pocket in the IN active site might accommodate an aromatic system rather than a halogen. The position of sulfur in the thiazole ring appears important for potency against IN, as its replacement with an oxygen or carbon abolished activity. Further extension of the thiazole ring diminished potency. Compounds 1, 19, and 20 showed antiviral activity and inhibited IN within similar concentrations. These compounds inhibited IN when Mn2+ or Mg2+ was used as cofactor. None of these compounds showed detectable activities against HIV-1 reverse transcriptase, protease, virus attachment, or nucleocapsid protein zinc fingers. Therefore, thiazolothiazepines are potentially important lead compounds for development as inhibitors of IN and HIV replication.
• Ponci; Vitali; Mossini, Farmaco, Edizione Scientifica, 1967, vol. 22, # 12, p. 989 - 998
  作者：Ponci、Vitali、Mossini、Amoretti

  DOI：——

  日期：——