3,5-二氯-2-硫烷基苯甲酸 | 57446-10-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3,5-二氯-2-硫烷基苯甲酸
• 英文名称: 2,4-dichloro-6-carboxybenzenethiol
• 英文别名: 3,5-dichloro-2-mercaptobenzoic acid；3,5-Dichloro-2-mercaptobenzoesaeure；3,5-Dichlor-2-mercapto-benzoesaeure；3,5-Dichloro-2-sulfanylbenzoic acid
• CAS: 57446-10-3
• 化学式: C₇H₄Cl₂O₂S
• 分子量: 223.08
• InChiKey: NTWYUZIIPPHVBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  38.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,5-二氯-2-硫烷基苯甲酸 在 氯化亚砜 、 碘 作用下， 生成 3,5,3',5'-tetrachloro-2,2'-disulfanediyl-bis-benzoyl chloride
  参考文献：
  名称：

  Gialdi et al., Farmaco, Edizione Scientifica, 1959, vol. 14, p. 648,660

  摘要：

  DOI：
• 作为产物：
  描述：

  3,5-二氯-2-((二甲基氨基甲酰基)硫代)苯甲酸甲酯 在 水 、 sodium hydroxide 、 盐酸 作用下， 以 水 为溶剂， 反应 4.0h， 以90%的产率得到3,5-二氯-2-硫烷基苯甲酸
  参考文献：
  名称：

  EP2208728

  摘要：

  公开号：

文献信息

• The synthesis of aryl 4-nitro-5-imidazolyl sulfone radiation sensitizers sterically protected against glutathione reaction
  作者：Roger A. Egolf、Ned D. Heindel

  DOI：10.1002/jhet.5570280307

  日期：1991.4

  6-Disubstituted aryl 1-methyl-4-nitro-5-imidazolyl sulfones 4 and aryl 1-neopentyl-2-tert-butyl-4-nitro-5-imidazolyl sulfones 10 have been synthesized and tested as radiation sensitizers of hypoxic carcinoma cells. These sterically crowded imidazoles show decreased displacement reactivity with glutathione at C-5, a major metabolic reaction known to deplete effective plasma drug levels in traditional aryl imidazolyl

  合成了2,6-二取代的芳基1-甲基-4-硝基-5-咪唑基砜4和芳基1-新戊基-2-叔丁基-4-硝基-5-咪唑基砜10并作为低氧辐射敏化剂进行了测试。癌细胞。这些空间拥挤的咪唑在C-5处显示出与谷胱甘肽的置换反应降低，这是一种主要的代谢反应，已知该反应会耗尽传统芳基咪唑基砜辐射敏化剂中的有效血浆药物水平。
• HETEROCYCLIC DERIVATIVE HAVING INHIBITORY ACTIVITY ON TYPE-I 11 DATA-HYDROXYSTEROID DEHYDROGENASE
  申请人：Itai Akiko

  公开号：US20100234363A1

  公开（公告）日：2010-09-16

  Disclosed is a compound which is useful as an 11β-hydroxysteroid dehydrogenase type 1 inhibitor. A compound represented by the formula: its pharmaceutically acceptable salt, or a solvate thereof, wherein X is O or S, a broken line and a wavy line represent the presence or the absence of a bond, (i) when a broken line represents the presence of a bond, a wavy line represents the absence of a bond, R 2 and R 3 are each independently hydrogen, halogen, cyano, hydroxy, carboxy, optionally substituted alkyl, optionally substituted alkenyl, optionally substituted alkynyl or the like, (ii) when a broken line represents the absence of a bond, a wavy line represents the presence of a bond, R 1 and R 4 are each independently hydrogen, halogen or the like, R 2 and R 3 are each independently hydrogen, halogen, cyano, hydroxy, carboxy, optionally substituted alkyl, optionally substituted alkenyl, optionally substituted alkynyl or the like, and R 5 and R 6 are each independently hydrogen, optionally substituted alkyl, optionally substituted alkenyl, optionally substituted alkynyl or the like.

  本发明涉及一种化合物，可用作11β-羟基类固醇脱氢酶1型抑制剂。化合物的表示式如下：其药学上可接受的盐或其溶剂化物，其中X为O或S，一条断线和一条波浪线分别表示键的存在或不存在，(i) 当断线表示键的存在时，波浪线表示键的不存在，R2和R3各自独立地表示氢、卤素、氰基、羟基、羧基、可选取代的烷基、可选取代的烯基、可选取代的炔基或类似物，(ii) 当断线表示键的不存在时，波浪线表示键的存在，R1和R4各自独立地表示氢、卤素或类似物，R2和R3各自独立地表示氢、卤素、氰基、羟基、羧基、可选取代的烷基、可选取代的烯基、可选取代的炔基或类似物，而R5和R6各自独立地表示氢、可选取代的烷基、可选取代的烯基、可选取代的炔基或类似物。
• HETEROCYCLIC DERIVATIVE HAVING INHIBITORY ACTIVITY ON TYPE-I 11 -HYDROXYSTEROID DEHYDROGENASE
  申请人：Institute Of Medicinal Molecular Design, Inc.

  公开号：EP2208728A1

  公开（公告）日：2010-07-21

  Disclosed is a compound which is useful as an 11β-hydroxysteroid dehydrogenase type 1 inhibitor. A compound represented by the formula: its pharmaceutically acceptable salt, or a solvate thereof, wherein X is O or S, a broken line and a wavy line represent the presence or the absence of a bond, (i) when a broken line represents the presence of a bond, a wavy line represents the absence of a bond, R2 and R3 are each independently hydrogen, halogen, cyano, hydroxy, carboxy, optionally substituted alkyl, optionally substituted alkenyl, optionally substituted alkynyl or the like, (ii) when a broken line represents the absence of a bond, a wavy line represents the presence of a bond, R1 and R4 are each independently hydrogen, halogen or the like, R2 and R3 are each independently hydrogen, halogen, cyano, hydroxy, carboxy, optionally substituted alkyl, optionally substituted alkenyl, optionally substituted alkynyl or the like, and R5 and R6 are each independently hydrogen, optionally substituted alkyl, optionally substituted alkenyl, optionally substituted alkynyl or the like.

  本发明公开了一种可用作 11β- 羟基类固醇脱氢酶 1 型抑制剂的化合物。 一种由式表示的化合物： 其药学上可接受的盐或其溶液，其中 X 是 O 或 S，折线和波浪线代表键的存在或不存在、 (i) 断线表示有键，波浪线表示无键、 R2 和 R3 各自独立地为氢、卤素、氰基、羟基、羧基、任选取代的烷基、任选取代的烯基、任选取代的炔基或类似物、 (ii) 断线表示无键，波浪线表示有键、 R1 和 R4 各自独立地为氢、卤素或类似物、 R2 和 R3 各自独立地为氢、卤素、氰基、羟基、羧基、任选取代的烷基、任选取代的烯基、任选取代的炔基或类似物，以及 R5 和 R6 各自独立地为氢、任选取代的烷基、任选取代的烯基、任选取代的炔基或类似物。
• SEMICONDUCTOR DEVICE HAVING QUANTUM DOTS
  申请人：CANON KABUSHIKI KAISHA

  公开号：EP3859804A2

  公开（公告）日：2021-08-04

  A semiconductor device includes an anode (131), a cathode (134), a first functional layer (133B) between the anode and cathode, and a second functional layer (133C) between the first functional layer and the cathode. The first functional layer contains a first quantum dot having a first ligand, and the second functional layer contains a second quantum dot having a second ligand different from the first ligand. The second ligand is an aromatic compound having a sulfide bond and an ester bond.

  一种半导体器件包括阳极（131）、阴极（134）、阳极和阴极之间的第一功能层（133B）以及第一功能层和阴极之间的第二功能层（133C）。第一功能层包含具有第一配体的第一量子点，第二功能层包含具有不同于第一配体的第二配体的第二量子点。第二配体是具有硫化键和酯键的芳香族化合物。
• Rotationally restricted mimics of rigid molecules: nonspirocyclic hydantoin aldose reductase inhibitors
  作者：James P. Rizzi、Rodney C. Schnur、Nancy J. Hutson、Kenneth G. Kraus、Paul R. Kelbaugh

  DOI：10.1021/jm00126a011

  日期：1989.6

  Sorbinil (1), a spirocyclic hydantoin, is a potent inhibitor of the enzyme aldose reductase. Simulation of the rigid spirocyclic ring orientation found in sorbinil was achieved with nonspirocyclic 5-[5'-chloro-2'-(alkylsulfonyl)-phenyl]hydantoins and 5-[5'-chloro-2'-[(N-alkylamino)sulfonyl]phenyl]hydantoins. The 2'-substituent (SO2R) was sufficiently large to hinder rotation of the hydantoin ring, forcing an orientation similar to that of a spirocyclic hydantoin. Calculated conformational preference, X-ray data, and inhibitory IC50 values for these nonspirocyclic 2'-substituted (SO2R) phenylhydantoins are in accord with what is expected for spirocyclic hydantoins and comparable to those of sorbinil.