5-iodo-2-mercaptobenzoic acid | 1005412-69-0

• 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-iodo-2-mercaptobenzoic acid
• 英文别名: 5-iodo-2-sulfanylbenzoic acid
• CAS: 1005412-69-0
• 化学式: C₇H₅IO₂S
• 分子量: 280.086
• InChiKey: DSEOHZFMNDXZGY-UHFFFAOYSA-N

物化性质

• 沸点：
  371.4±37.0 °C(Predicted)
• 密度：
  2.049±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  11
• 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：

  5-iodo-2-mercaptobenzoic acid 在 偶氮二甲酸二异丙酯 、 硫酸 、 三苯基膦 、 lithium hydroxide 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 2-[3-[3-(6-Aminopyridin-2-yl)-1,2,4-triazol-4-yl]propylsulfanyl]-5-iodobenzoic acid
  参考文献：
  名称：

  [EN] APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS AND USES THEREOF
  [FR] INHIBITEURS DE KINASE DE RÉGULATION DU SIGNAL DE L'APOPTOSE ET LEURS UTILISATIONS

  摘要：

  本文描述了ASK1抑制剂和包含该化合物的药物组合物。所述化合物和组合物对于治疗血液疾病、自身免疫性疾病、肺部疾病、高血压、炎症性疾病、纤维化疾病、糖尿病、糖尿病肾病、肾脏疾病、呼吸系统疾病、心血管疾病、急性肺损伤、急性或慢性肝病以及神经退行性疾病具有用处。

  公开号：

  WO2019051265A1
• 作为产物：
  描述：

  5-碘水杨酸甲酯 在 三乙烯二胺 、 水 、 potassium hydroxide 作用下， 以 甲醇 、 二苯醚 、 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 5-iodo-2-mercaptobenzoic acid
  参考文献：
  名称：

  [EN] APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS AND USES THEREOF
  [FR] INHIBITEURS DE KINASE DE RÉGULATION DU SIGNAL DE L'APOPTOSE ET LEURS UTILISATIONS

  摘要：

  本文描述了ASK1抑制剂和包含该化合物的药物组合物。所述化合物和组合物对于治疗血液疾病、自身免疫性疾病、肺部疾病、高血压、炎症性疾病、纤维化疾病、糖尿病、糖尿病肾病、肾脏疾病、呼吸系统疾病、心血管疾病、急性肺损伤、急性或慢性肝病以及神经退行性疾病具有用处。

  公开号：

  WO2019051265A1

文献信息

• Cycloalkenochromone
  申请人：Miles Laboratories, Inc.

  公开号：US04221800A1

  公开（公告）日：1980-09-09

  Certain substituted cycloalkenochromones and pharmacologically acceptable salts thereof are disclosed as being useful in the treatment of allergies. The compounds have the structure: ##STR1## X is --O--, --S--, or --SO.sub.2. Y is from 1 to 4. R.sub.1 is H or alkyl, and R.sub.2 is H, alkyl, aryl, carboxyl, alkoxy, aralkoxy, or alkoxycarbonyl. When R.sub.1 is alkyl, R.sub.2 is hydrogen, alkyl or aryl. At least one of R.sub.2 and R.sub.3 is alkoxycarbonyl, carboxyl or tetrazolyl. R.sub.3 is carboxyl, alkylthio, alkylsulfonyl, alkylsulfinyl, alkoxycarbonyl, or tetrazolyl.

  本发明揭示了某些取代的环烯酮和其药学上可接受的盐，作为治疗过敏症的有用药物。该化合物的结构如下：##STR1##其中，X为--O--，--S--或--SO.sub.2。Y为1到4。R.sub.1为H或烷基，R.sub.2为H，烷基，芳基，羧基，烷氧基，芳基烷氧基或烷氧羰基。当R.sub.1为烷基时，R.sub.2为氢，烷基或芳基。R.sub.2和R.sub.3中至少有一个为烷氧羰基，羧基或四唑基。R.sub.3为羧基，烷基硫醇基，烷基磺酰基，烷基亚磺酰基，烷氧羰基或四唑基。
• 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。
• Apoptosis signal-regulating kinase inhibitors and uses thereof
  申请人：SICHUAN HAISCO PHARMACEUTICAL CO., LTD.

  公开号：US11034671B2

  公开（公告）日：2021-06-15

  Described herein are ASK1 inhibitors and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful for the treatment of blood disease, autoimmune disorders, pulmonary disorders, hypertension, inflammatory diseases, fibrotic diseases, diabetes, diabetic nephropathy, renal diseases, respiratory diseases, cardiovascular diseases, acute lung injuries, acute or chronic liver diseases, and neurodegenerative diseases.

  本文描述的是 ASK1 抑制剂和包含所述化合物的药物组合物。所述化合物和组合物可用于治疗血液病、自身免疫性疾病、肺部疾病、高血压、炎症性疾病、纤维化疾病、糖尿病、糖尿病肾病、肾病、呼吸系统疾病、心血管疾病、急性肺损伤、急性或慢性肝病以及神经退行性疾病。
• Synthesis and In Vivo Evaluation of Halogenated <i>N</i>,<i>N</i>-Dimethyl-2-(2′-amino-4′-hydroxymethylphenylthio)benzylamine Derivatives as PET Serotonin Transporter Ligands
  作者：Nachwa Jarkas、Ronald J. Voll、Larry Williams、John R. Votaw、Mike Owens、Mark M. Goodman

  DOI：10.1021/jm0707929

  日期：2008.1.1

  N,N-Dimethyl-2-(2'-amino-4'-hydroxymethylphenylthio)benylamine (38), substituted on ring A, was reported to display high binding affinity and selectivity to the human brain serotonin transporter (SERT). In an attempt to explore the potential of compounds substituted on ring B of the phenylthiophenyl core structure, three derivatives of 38 were synthesized: N,N-dimethyl-2-(2'-amino-4'-hydroxymethyl-phenylthio)-5-fluorobenzylamine (35), N,N-dimethyl-2-(2'-amino-4'-hydroxymethyl-phenylthio)-5-bromobenzylamine (36), and N,N-dimethyl-2-(2'-amino-4'-hydroxymethyl-phenylthio)-5-iodobenzylamine (37). The in vitro binding studies in cells transfected with human SERT, norepinephrine transporter (NET), and dopamine transporter (DAT) showed that 35, 36, and 37 exhibited high SERT affinity with K(i)s (SERT) = 1.26, 0.29, and 0.31 nM (vs [H-3]citalopram), respectively. [C-11-(35), [C-11-(36), and [C-11-(37) were prepared by methylation of their monomethyl precursors 16, 17, and 18, with [C-11]iodomethane in 28, 11, and 14% radiochemical yields, respectively. The microPET images of [C-11-(35), [C-11-(36), and [C-11-(37) showed high uptake in the monkey brain regions rich in SERT with peak midbrain to cerebellum ratios of 3.41, 3.24, and 3.00 at 85 min post-injection, respectively. In vivo bindings of [C-11-(35), [C-11-(36), and [C-11-(37) were shown to be specific to the SERT as displacement with citalopram (a potent SERT ligand) reduced radioactivity in SERT-rich regions to the cerebellum level. These results suggest that [C-11-(35), [C-11-(36), and [C-11-(37) could be potential agents for mapping human SERT by PET and radiolabeling 37 with iodine-123, which could afford the first SPECT SERT imaging agent exhibiting fast kinetics.
• APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS AND USES THEREOF
  申请人：Fronthera U.S. Pharmaceuticals LLC

  公开号：US20200283404A1

  公开（公告）日：2020-09-10

  Described herein are ASK1 inhibitors and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful for the treatment of blood disease, autoimmune disorders, pulmonary disorders, hypertension, inflammatory diseases, fibrotic diseases, diabetes, diabetic nephropathy, renal diseases, respiratory diseases, cardiovascular diseases, acute lung injuries, acute or chronic liver diseases, and neurodegenerative diseases.