(4-methylphenyl)carbamothioic S-acid | 77959-23-0

• 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: (4-methylphenyl)carbamothioic S-acid
• CAS: 77959-23-0
• 化学式: C₈H₉NOS
• 分子量: 167.232
• InChiKey: HCRLLKWHMZNNKR-UHFFFAOYSA-N

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：
  0.12
• 拓扑面积：
  30.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (4-methylphenyl)carbamothioic S-acid 、 1-(5-(4-aminophenyl)-3-(3,4-dimethoxyphenyl)-4, 5-dihydro-1H-pyrazol-1-yl)ethanone 以 四氢呋喃 为溶剂， 以83%的产率得到1-(4-(1-acetyl-3-(3,4-dimethoxyphenyl)-4, 5-dihydro-1H-pyrazol-5-yl) phenyl)-3-(p-tolyl)thiourea
  参考文献：
  名称：

  Synthesis, anti-inflammatory and antimicrobial evaluation of novel 1-acetyl-3,5-diaryl-4,5-dihydro (1H) pyrazole derivatives bearing urea, thiourea and sulfonamide moieties

  摘要：

  A series of novel 1-acetyl-3-(3,4-dimethoxypheny)-5-(4-(3-(arylureido/arylthioureido/arylsulfonamido) phenyl)-4,5-dihydropyrazole derivatives of biological interest have been prepared by sequential cyclization of 1-(4-nitrophenyl)-3-(3,4-dimethoxyphenyl)-pro-2-ene-1 with hydrazine hydrate, reduction followed by reaction of resulting amine with different arylisocyanates or arylisothiocyanates or arylsulfonyl chlorides. All the synthesized compounds (1- 32) have been screened for their pro-inflammatory cytokines (TNF-alpha and IL-6) and antimicrobial activity (antibacterial and antifungal). Biological evaluation study showed, the compounds 4, 5, 9, 11, 14 and 16 found to have promising anti-inflammatory activity (up to 61-85% TNF-alpha and 76-93% IL-6 inhibitory activity) at concentration of 10 mu M with reference to standard dexamethasone (76% TNF-alpha and 86% IL-6 inhibitory activity at 1 mu M). Compounds 24, 26, 27, 28 and 29 exhibited promising antimicrobial activity at MIC values ranging from 70 to 10 mu g/mL against all the selected pathogenic bacteria and fungi. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.08.118

文献信息

• [EN] CD16A BINDING AGENTS AND USES THEREOF<br/>[FR] AGENTS DE LIAISON À CD16A ET LEURS UTILISATIONS
  申请人：KLEO PHARMACEUTICALS INC

  公开号：WO2019136442A1

  公开（公告）日：2019-07-11

  Among other things, the present disclosure provides compounds, compositions thereof, and methods of using the same. In some embodiments, compounds of the present disclosure bind to Fc receptors, e.g., CD16a. In some embodiments, compounds of the present disclosure are useful for treating various conditions, disorders or diseases including cancer.

  在其他方面，本公开提供了化合物、其组合物以及使用这些化合物的方法。在一些实施例中，本公开的化合物与Fc受体结合，例如CD16a。在一些实施例中，本公开的化合物可用于治疗包括癌症在内的各种疾病、疾病或疾病。
• NITROGEN-CONTAINING FUSED HETEROCYCLIC SHP2 INHIBITOR COMPOUND, PREPARATION METHOD, AND USE
  申请人：SHANGHAI RINGENE BIOPHARMA CO., LTD.

  公开号：US20220127271A1

  公开（公告）日：2022-04-28

  Disclosed are a nitrogen-containing fused heterocyclic SHP2 inhibitor compound, a preparation method, and use. The nitrogen-containing fused heterocyclic SHP2 inhibitor compound is represented by formula I below. The compound has high inhibitory activity for an SHP2 enzyme and tumor cell proliferation, and has good druggability.

  揭示了一种含氮的融合杂环SHP2抑制剂化合物，以及其制备方法和用途。该含氮的融合杂环SHP2抑制剂化合物由下面的化学式I表示。该化合物对SHP2酶和肿瘤细胞增殖具有高抑制活性，并具有良好的药物可用性。
• Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors
  申请人：Incyte Corporation

  公开号：US10639310B2

  公开（公告）日：2020-05-05

  The present invention provides heteroaryl substituted pyrrolo[2,3-b]pyridines and heteroaryl substituted pyrrolo[2,3-b]pyrimidines that modulate the activity of Janus kinases and are useful in the treatment of diseases related to activity of Janus kinases including, for example, immune-related diseases, skin disorders, myeloid proliferative disorders, cancer, and other diseases.

  本发明提供了杂芳基取代的吡咯并[2,3-b]吡啶和杂芳基取代的吡咯并[2,3-b]嘧啶，它们可以调节 Janus 激酶的活性，并可用于治疗与 Janus 激酶活性有关的疾病，例如包括免疫相关疾病、皮肤疾病、骨髓增生性疾病、癌症和其他疾病。
• Additive für Schmiermittelzusammensetzungen
  申请人：CIBA-GEIGY AG

  公开号：EP0211806B1

  公开（公告）日：1990-01-24
• 6-Substituted acyclopyrimidine nucleoside derivatives and antiviral agent containing the same as active ingredient thereof
  申请人：MITSUBISHI CHEMICAL CORPORATION

  公开号：EP0829476B1

  公开（公告）日：2002-08-28