3-甲基-联苯-4-磺酰氯 | 186551-47-3

• 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-甲基-联苯-4-磺酰氯
• 中文别名: 3'-甲基联苯-4-磺酰氯
• 英文名称: 3'-methylbiphenyl-4-sulfonyl chloride
• 英文别名: 4-(3-methylphenyl)benzenesulfonyl chloride
• CAS: 186551-47-3
• 化学式: C₁₃H₁₁ClO₂S
• 分子量: 266.748
• InChiKey: OHVJVSGIYVAZFD-UHFFFAOYSA-N

物化性质

• 熔点：
  69-73℃
• 沸点：
  380.8±21.0 °C(Predicted)
• 密度：
  1.284±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  42.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  8

反应信息

• 作为反应物：
  描述：

  1-(3-aminopropyl)pyridin-1-ium bromide hydrobromide 、 3-甲基-联苯-4-磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以0.105 g的产率得到1-(3-(3’-methylbiphenyl-4-ylsulfonamido)propyl)pyridinium bromide
  参考文献：
  名称：

  [EN] HSP70 INHIBITORS AND METHODS OF USING SAME
  [FR] INHIBITEURS DE HSP70 ET LEURS MÉTHODES D'UTILISATION

  摘要：

  该披露提供了化合物和含有这些化合物的组合物，可用于治疗癌症，特别是结直肠癌（CRC）。在某些实施方式中，该披露的化合物抑制HSP70。在其他实施方式中，该披露的化合物促进或增加免疫细胞对癌症的招募。在另一些实施方式中，该披露的化合物促进或增加免疫细胞对癌症的浸润。

  公开号：

  WO2021202540A1

文献信息

• BENZOCYCLOHEPTENE ACETIC ACIDS
  申请人：Firooznia Fariborz

  公开号：US20120309796A1

  公开（公告）日：2012-12-06

  Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of inflammatory diseases and disorders such as, for example, asthma and COPD.

  本文提供的是化合物的公式(I)以及其药用盐，其中取代基如规范中所披露的那样。这些化合物及含有它们的药物组合物对于治疗炎症性疾病和紊乱，如哮喘和慢性阻塞性肺病等，具有用处。
• [EN] THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR<br/>[FR] DERIVES DE THIAZOLIDINE CARBOXAMIDE UTILES EN TANT QUE MODULATEURS DU RECEPTEUR DE PROSTAGLANDINE F
  申请人：APPLIED RESEARCH SYSTEMS

  公开号：WO2003082278A1

  公开（公告）日：2003-10-09

  The present invention is related to thiazolidine carboxamide derivatives of formula (II) for the treatment and/or prophylaxis of preterm labor, premature birth, dysmenorrhea and for stopping labor prior to cesarean delivery. G is selected from the group consisting of C1-C6-alkyl aryl, C1-C6-alkyl heteroaryl, C1-C6 Alkyl cycloalkyl, C1-C6-alkyl heteroaryl, aryl, heteroaryl, C3-C8-cycloalkyl or -heterocyclo­alkyl, said cycloalkyl or aryl or heteroaryl groups may be fused with cycloalkyl or aryl or heteroaryl groups. R1 is selected from the group consisting of aryl, heteroaryl, C3-C8-cycloalkyl or - heterocyclo-alkyl, said (hetero)cycloalkyl or aryl or heteroaryl groups may be fused with (hetero)cycloalkyl or aryl or heteroaryl groups. R2 is selected from the group consisting of H, carboxy, acyl, alkoxycarbonyl, amino­carbonyl, C1-C5-alkyl carboxy, C1-C5-alkyl acyl, C1-C5-alkyl alkoxycarbonyl, C1-C5-alkyl aminocarbonyl, C1-C5-alkyl acyloxy, C1-C5-alkyl acylamino, C1 -C5-alkyl ureido, C1-C5alkyl amino, C1-C5-alkyl alkoxy, C1-C5-alkyl sulfanyl, C1-C5-alkyl sulfinyl, C1-C5-alkyl sulfonyl, C1-C5-alkyl sulfonylamino, C1-C5-alkyl sulfonyloxy, C1-C6-alkyl, C2-C6-alkenyl, C2-C6-alkynyl, aryl, heteroaryl, C3-C8-cycloalkyl, heterocycloalkyl, C1-C6-alkyl aryl, C2-C6-alkyl heteroaryl, C1-C6-alkyl cycloalkyl, C1-C6-alkyl heterocycloalkyl, C2-C6-alkenyl aryl, C2-C6-alkenyl heteroaryl, C2-C6-alkynyl aryl, or C2-C6-alkynyl heteroaryl.

  本发明涉及公式（II）的噻唑烷羧酰胺衍生物，用于治疗和/或预防早产、早产、痛经以及在剖腹产前停止分娩。G选自C1-C6烷基芳基、C1-C6烷基杂芳基、C1-C6烷基环烷基、C1-C6烷基杂芳基、芳基、杂芳基、C3-C8环烷基或-杂环烷基，所述环烷基或芳基或杂芳基基团可能与环烷基或芳基或杂芳基基团融合。R1选自芳基、杂芳基、C3-C8环烷基或-杂环烷基，所述（杂）环烷基或芳基或杂芳基基团可能与（杂）环烷基或芳基或杂芳基基团融合。R2选自H、羧基、酰基、烷氧羰基、氨基羰基、C1-C5烷基羧基、C1-C5烷基酰基、C1-C5烷基烷氧羰基、C1-C5烷基氨基羰基、C1-C5烷基酰氧基、C1-C5烷基酰胺基、C1-C5烷基脲基、C1-C5烷基氨基、C1-C5烷基烷氧基、C1-C5烷基硫醇基、C1-C5烷基亚砜基、C1-C5烷基磺酰基、C1-C5烷基磺酰胺基、C1-C5烷基磺酰氧基、C1-C6烷基、C2-C6烯基、C2-C6炔基、芳基、杂芳基、C3-C8环烷基、杂环烷基、C1-C6烷基芳基、C2-C6烷基杂芳基、C1-C6烷基环烷基、C1-C6烷基杂环烷基、C2-C6烯基芳基、C2-C6烯基杂芳基、C2-C6炔基芳基或C2-C6炔基杂芳基。
• THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR
  申请人：PAGE Patrick Naxos

  公开号：US20080255094A1

  公开（公告）日：2008-10-16

  The present invention is related to thiazolidine carboxamide derivatives of formula (II) for the treatment and/or prophylaxis of preterm labor, premature birth, dysmenorrhea and for stopping labor prior to cesarean delivery.

  本发明涉及式（II）的噻唑烷羧酰胺衍生物，用于治疗和/或预防早产、早产、痛经以及在剖腹产前停止分娩。
• Synthesis and evaluation of small molecule inhibitors of LSD1 for use against MYCN-expressing neuroblastoma
  作者：Catherine M. Mills、Jonathan Turner、Ivett C. Piña、Kathleen A. Garrabrant、Dirk Geerts、André S. Bachmann、Yuri K. Peterson、Patrick M. Woster

  DOI：10.1016/j.ejmech.2022.114818

  日期：2022.12

  epigenetic regulator lysine specific demethylase 1 (LSD1), a MYCN cofactor, cooperatively silences MYCN suppressor genes. Furthermore, LSD1 has been correlated with adverse effects in neuroblastic tumors by propagating an undifferentiated, malignant phenotype. We observed that high LSD1 mRNA expression in MYCN-expressing neuroblastoma (NB) correlated with poor prognosis, implicating LSD1 as an oncogenic

  表观遗传调节剂赖氨酸特异性脱甲基酶 1 (LSD1) 是 MYCN 的辅助因子，可协同沉默 MYCN 抑制基因。此外，LSD1 通过传播未分化的恶性表型与神经母细胞肿瘤的不良反应相关联。我们观察到表达 MYCN 的神经母细胞瘤 (NB) 中 LSD1 mRNA 的高表达与不良预后相关，表明 LSD1 是高级别 NB 的致癌帮凶。因此，LSD1 抑制是靶向治疗耐药 MYCN 表达 NB 的潜在策略。基于反苯环丙胺的共价 LSD1 抑制剂已证明具有抗肿瘤活性，但与不良的脱靶效应相关，因此只有 2 种非共价 LSD1 抑制剂处于临床试验阶段。我们现在报告了 3 种用于可逆 LSD1 抑制的新型支架：2-(芳基磺酰氨基)苯甲酸，N-(2-(1H-tetrazol-5-yl)phenyl)benzenesulfonamide 和 2-(arylcarboxamido)benzoic acid 类似物
• Design and Structure−Activity Relationships of Potent and Selective Inhibitors of Blood Coagulation Factor Xa
  作者：William R. Ewing、Michael R. Becker、Vincent E. Manetta、Roderick S. Davis、Henry W. Pauls、Helen Mason、Yong Mi Choi-Sledeski、Daniel Green、Don Cha、Alfred P. Spada、Daniel L. Cheney、Jonathan S. Mason、Sebastien Maignan、Jean-Pierre Guilloteau、Karen Brown、Dennis Colussi、Ross Bentley、Jeff Bostwick、Charles J. Kasiewski、Suzanne R. Morgan、Robert J. Leadley、Christopher T. Dunwiddie、Mark H. Perrone、Valeria Chu

  DOI：10.1021/jm990040h

  日期：1999.9.1

  The discovery of a series of non-peptide factor Xa (FXa) inhibitors incorporating 3-(S)-amino-2-pyrrolidinone as a central template is described. After identifying compound 4, improvements in in vitro potency involved modifications of the liphophilic group and optimizing the angle of presentation of the amidine group to the S1 pocket of FXa. These studies ultimately led to compound RPR120844, a potent inhibitor of FXa (Ki = 7 nM) which shows selectivity for FXa over trypsin, thrombin, and several fibrinolytic serine proteinases. RPR120844 is an effective anticoagulant in both the rat model of FeCl2-induced carotid artery thrombosis and the rabbit model of jugular vein thrombus formation.