(4-碘甲基-苯基)-甲基砜 | 100960-84-7

• 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: (4-碘甲基-苯基)-甲基砜
• 英文名称: (4-iodomethyl-phenyl)-methyl sulfone
• 英文别名: (4-Jodmethyl-phenyl)-methyl-sulfon；1-(iodomethyl)-4-(methylsulfonyl)benzene；1-(Iodomethyl)-4-methylsulfonylbenzene
• CAS: 100960-84-7
• 化学式: C₈H₉IO₂S
• 分子量: 296.129
• InChiKey: NBPBMKICSYXCLA-UHFFFAOYSA-N

物化性质

• 熔点：
  124 °C(Solv: ethanol (64-17-5))
• 沸点：
  396.0±42.0 °C(Predicted)
• 密度：
  1.780±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  42.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (4-碘甲基-苯基)-甲基砜 在 三氟乙酸 作用下， 生成 (4-甲基磺酰基苯基)甲硫醇
  参考文献：
  名称：

  A one-pot multistep approach to α-azido-phosphonate and phosphonothioate diesters: key intermediates in the synthesis of haptens for the generation of antibody ligases

  摘要：

  A four-step, one-pot synthesis of mixed alpha-azido-phosphonates and phosphonothioates 12a-d is described. This chemistry has provided a facile route to haptens 6a-b and 7 that have been employed for the elicitation of antibody ligases. Five hapten-specific antibodies have been identified as modest catalysts of a model peptide ligation reaction between thioester 1b and thiol 2 to give the amide product 5. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00137-2
• 作为产物：
  描述：

  4-甲砜基苯甲醇 在 咪唑 、 碘 、 三苯基膦 作用下， 生成 (4-碘甲基-苯基)-甲基砜
  参考文献：
  名称：

  A one-pot multistep approach to α-azido-phosphonate and phosphonothioate diesters: key intermediates in the synthesis of haptens for the generation of antibody ligases

  摘要：

  A four-step, one-pot synthesis of mixed alpha-azido-phosphonates and phosphonothioates 12a-d is described. This chemistry has provided a facile route to haptens 6a-b and 7 that have been employed for the elicitation of antibody ligases. Five hapten-specific antibodies have been identified as modest catalysts of a model peptide ligation reaction between thioester 1b and thiol 2 to give the amide product 5. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00137-2

文献信息

• Substituted phenyl farnesyltransferase inhibitors
  申请人：——

  公开号：US20020019527A1

  公开（公告）日：2002-02-14

  Compounds of formula (I) 1 or pharmaceutically acceptable salts thereof, inhibit farnesyltransferase. Methods for making the compounds, pharmaceutical compositions containing the compounds, and methods of treatment using the compounds are disclosed.

  式(I)的化合物或其药学上可接受的盐，抑制法尼基转移酶。公开了制备这些化合物的方法，含有这些化合物的药物组合物，以及使用这些化合物进行治疗的方法。
• Design of pyrido[2,3-d]pyrimidin-7-one inhibitors of receptor interacting protein kinase-2 (RIPK2) and nucleotide-binding oligomerization domain (NOD) cell signaling
  作者：Sameer Nikhar、Ioannis Siokas、Lisa Schlicher、Seungheon Lee、Mads Gyrd-Hansen、Alexei Degterev、Gregory D. Cuny

  DOI：10.1016/j.ejmech.2021.113252

  日期：2021.4

  implicated in numerous chronic inflammatory conditions. Herein, a pyrido[2,3-d]pyrimidin-7-one based class of RIPK2 kinase and NOD2 cell signaling inhibitors is described. For example, 33 (e.g. UH15–15) inhibited RIPK2 kinase (IC50 = 8 ± 4 nM) and displayed > 300-fold selectivity versus structurally related activin receptor-like kinase 2 (ALK2). This molecule blocked NOD2-dependent HEKBlue NF-κB activation

  受体相互作用蛋白激酶 2 (RIPK2) 是一种参与促炎核苷酸结合寡聚化结构域 (NOD) 细胞信号转导的酶，该信号通路与许多慢性炎症状况有关。本文描述了基于 pyrido[2,3-d]pyrimidin-7-one 的一类 RIPK2 激酶和 NOD2 细胞信号传导抑制剂。例如，33 (例如UH15 – 15 ) 抑制 RIPK2 激酶 (IC 50  = 8 ± 4 nM) 并显示出与结构相关的激活素受体样激酶 2 (ALK2) 相比 > 300 倍的选择性。该分子阻断 NOD2 依赖性 HEKBlue NF-κB 活化（IC 50 = 20 ± 5 nM）和 CXCL8 生产（浓度 > 10 nM）。分子对接表明，Ser25 在富含甘氨酸的环中的参与可能会提供比 ALK2 更高的选择性，并且守门员和 αC 螺旋之间区域的最佳占据可能有助于有效的 NOD2 细胞信号传导抑制。最后，该化合物还表现出良好的体外ADME
• Creep behavior of <i>in situ</i> dual-scale particles-TiB whisker and TiC particulate-reinforced titanium composites
  作者：Z. Z. Ma、S. S. Tjong、X. X. Meng

  DOI：10.1557/jmr.2002.0338

  日期：2002.9

  A titanium composite reinforced by in situ dual-scale particle, high-aspect-ratio TiB whiskers and fine TiC particulates was fabricated by a reactive hot pressing technique from a B₄C–Ti system. The composite was subjected to creep investigations in compression at 873–923 K. This composite exhibited a stress exponent of 4.5–4.6 and a creep activation energy of 298 kJ/mol. By comparison, unreinforced Ti exhibited a stress exponent of 5.2–5.3 and a creep activation energy of 259 kJ/mol. No change in the stress exponent with varying creep rates was observed in both composite and unreinforced Ti under the investigated creep rates. The creep resistance of the composite was more than one order of magnitude higher than that of the unreinforced Ti. The load transfer mechanism accounted for this result. The creep of both composite and unreinforced Ti was controlled by lattice diffusion in the titanium matrix.

  采用反应热压技术，从 B4C-Ti 体系中制造出了由原位双尺度颗粒、高谱比 TiB 晶须和细 TiC 颗粒增强的钛复合材料。这种复合材料的应力指数为 4.5-4.6，蠕变活化能为 298 kJ/mol。相比之下，未增强的钛的应力指数为 5.2-5.3，蠕变活化能为 259 kJ/mol。在所研究的蠕变速率下，复合钛和未增强钛的应力指数均未随蠕变速率的变化而变化。复合材料的抗蠕变性比未增强钛高出一个数量级以上。载荷传递机制是造成这一结果的原因。复合材料和未增强钛的蠕变都是由钛基体中的晶格扩散控制的。
• [EN] QUINAZOLINE COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF<br/>[FR] COMPOSÉ DE QUINAZOLINE, SON PROCÉDÉ DE PRÉPARATION ET SON APPLICATION<br/>[ZH] 一种喹唑啉类化合物、其制备方法及其应用
  申请人：[en]SHANGHAI PHARMACEUTICALS HOLDING CO., LTD.;[zh]上海医药集团股份有限公司

  公开号：WO2022237903A1

  公开（公告）日：2022-11-17

  提供了一种喹唑啉类化合物及其应用，具体提供了一种如式I所示的喹唑啉类化合物，所述化合物结构新颖，对细胞因子TNF-α，IL-6，IL-1β具有良好的抑制效果。
• Substituted thiopyrano[2,3,4-c,d]indoles as potent, selective, and orally active inhibitors of 5-lipoxygenase. Synthesis and biological evaluation of L-691,816
  作者：J. H. Hutchinson、D. Riendeau、C. Brideau、C. Chan、D. Delorme、D. Denis、J. P. Falgueyret、R. Fortin、J. Guay

  DOI：10.1021/jm00071a008

  日期：1993.9

  Thiopyrano[2,3,4-c,d]indoles are a new class of 5-lipoxygenase (5-LO) inhibitors. SAR studies have demonstrated that the thiopyran ring, the 5-phenylpyridine substituent, and an acidic functional group on a four-carbon C-2 side chain are all required for optimal inhibitor potency. In contrast, the indolic nitrogen may be substituted with a variety of lipophilic groups. As a result of the SAR investigation, 44 (L-691,816; 5-[3-[1-(4-chlorobenzyl)-4-methyl-6-[(5-phenylpyridin-2-yl)methoxy]-4,5-dihydro-1H-thiopyrano[2,3,4-c,d]indol-2-yl]-2,2-dimethylpropyl]-1H-tetrazole) has been identified as a potent inhibitor of the 5-LO reaction both in vitro and in a range of in vivo models. Compound 44 inhibits 5-HPETE production by both rat and human 5-LO and LTB4 synthesis in human PMN leukocytes (IC50s 16,75, and 10 nM, respectively). The mechanism of inhibition of 5-LO activity by compound 44 appears to involve the formation of a reversible deadend complex with the enzyme and does not involve reduction of the nonheme iron of 5-LO. Compound 44 is highly selective for 5-LO when compared to the inhibition of human FLAP, porcine 12-LO, and also ram seminal vesicle cyclooxygenase. In addition, 44 is orally active in a rat pleurisy model (inhibition of LTB4, ED50 = 1.9 mg/kg; 8 h pretreatment) as well as in the hyperreactive rat model of antigen-induced dyspnea (ED50 = 0.1 mg/kg;2-h pretreatment). Excellent functional activity was also observed in both the conscious allergic monkey and sheep models of asthma. In the latter case, the functional activity observed correlated with the inhibition of urinary LTE4 excretion.