N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzenesulfonamide | 914606-88-5

• 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: N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzenesulfonamide
• 英文别名: N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzene-sulphonamide；phenylsulfonic acid [4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-amide；N-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide；N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide
• CAS: 914606-88-5
• 化学式: C₁₈H₂₂BNO₄S
• 分子量: 359.254
• InChiKey: RGUJJINDBXNBSY-UHFFFAOYSA-N

物化性质

• 沸点：
  492.8±47.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.79
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  73
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 储存条件：
  2-8°C

反应信息

• 作为反应物：
  描述：

  N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzenesulfonamide 在 水 、 罗丹明B 、 三乙胺 、 乙腈 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 生成 2-methyl-8-oxo-2,8-diphenyl-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)octanamide
  参考文献：
  名称：

  通过开环/休战-微笑重排级联的光氧化还原催化活化烯烃的烷基芳基化

  摘要：

  开发了通过自由基 C-C 键断裂/Truce-Smiles 重排级联进行光氧化还原催化的活化烯烃烷基芳基化。该方案具有温和和氧化还原中性的条件、广泛的底物范围和出色的官能团兼容性，为在α位具有全碳四元中心的长链远端酮酰胺提供了一种简便有效的方法。

  DOI：

  10.1039/d4cc01324g
• 作为产物：
  描述：

  苯磺酰胺 、 4-氨基苯硼酸频哪醇酯 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以72%的产率得到N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzenesulfonamide
  参考文献：
  名称：

  PHARMACEUTICAL COMPOSITION COMPRISING AROMATIC HETEROCYCLIC COMPOUND

  摘要：

  提供一种药物组合物，其活性成分为一种芳香杂环化合物，其化学式为（I）：[其中Q1代表CR2（其中R2代表氢原子或类似物）或类似物；Q2代表CR3（其中R3代表氢原子或类似物）或类似物；Q3代表氮原子或类似物；R1代表—C(═O)OR16（其中R16代表氢原子或类似物）或类似物；R5代表氢原子或类似物；R6代表可选择取代的环烷基或类似物；X和Y可以相同也可以不同，并且每个代表CH，其中H可以被取代为取代基或类似物；Z代表氮原子或类似物]或类似物。

  公开号：

  US20120196854A1

文献信息

• Substituted sulphoximines as Tie2 inhibitors and salts thereof, pharmaceutical compositions comprising the same, methods of preparing the same and uses of the same
  申请人：Bayer Schering Pharma Aktiengesellschaft

  公开号：EP1878726A1

  公开（公告）日：2008-01-16

  The invention relates to substituted sulphoximines according to the general formula (I): in which A, E, G, X, R1, R2, R3, R4, R5, R6, R7, R8, m, p, q, are given in the claims, and salts thereof, to pharmaceutical compositions comprising said substituted sulphoximines, to methods of preparing said substituted sulphoximines as well as the use thereof for manufacturing a pharmaceutical composition for the treatment of diseases of dysregulated vascular growth or of diseases which are accompanied with dysregulated vascular growth, wherein the compounds effectively interfere with Tie2 signalling.

  该发明涉及通式（I）所示的取代磺酰羟肟化合物，其中A、E、G、X、R1、R2、R3、R4、R5、R6、R7、R8、m、p、q在权利要求中给出，以及其盐，包括所述取代磺酰羟肟化合物的药物组合物，制备所述取代磺酰羟肟化合物的方法以及将其用于制造用于治疗血管生长失调疾病或伴随血管生长失调的疾病的药物组合物，其中这些化合物有效干扰Tie2信号传导。
• Phenylpyridylpiperazine compounds
  申请人：Desos Patrice

  公开号：US20060258671A1

  公开（公告）日：2006-11-16

  A compound selected from those of formula (I): wherein: R 1 represents an NR 3 SO 2 R 4 group wherein: R 3 represents a hydrogen atom or an alkyl group, R 4 represents an alkyl group, aryl group or NR 5 R 6 group, R 2 represents an alkyl, cycloalkyl or cycloalkylalkyl group, and medicinal products containing the same which are useful in treating conditions treatable by antagonists of type H 3 central histamine receptors.

  从以下公式（I）中选择的化合物：其中：R1代表一个NR3SO2R4基团，其中：R3代表氢原子或烷基基团，R4代表烷基基团、芳基基团或NR5R6基团，R2代表烷基、环烷基或环烷基烷基，以及含有该化合物的药物产品，适用于治疗可通过H3型中枢组织胺受体拮抗剂治疗的疾病。
• SUBSTITUTED SULPHOXIMINES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME
  申请人：Hartung Ingo

  公开号：US20080064696A1

  公开（公告）日：2008-03-13

  The invention relates to substituted sulphoximines according to the general formula (I): in which A, E, G, X, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , m, p, q, are given in the claims, and salts thereof, to pharmaceutical compositions comprising said substituted sulphoximines, to methods of preparing said substituted sulphoximines as well as the use thereof for manufacturing a pharmaceutical composition for the treatment of diseases of dysregulated vascular growth or of diseases which are accompanied with dysregulated vascular growth, wherein the compounds effectively interfere with Tie2 signalling.

  本发明涉及通式（I）的取代磺酰肟化合物，其中A、E、G、X、R1、R2、R3、R4、R5、R6、R7、R8、m、p、q在权利要求书中给出，以及其盐，制备该取代磺酰肟化合物的方法，以及将其用于制造用于治疗失调血管生长疾病或伴随失调血管生长的疾病的药物组合物，其中该化合物有效地干扰Tie2信号传导。
• Substituted sulphoximines as TIE2 inhibitors and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same
  申请人：Bayer Schering Pharma AG

  公开号：US08003655B2

  公开（公告）日：2011-08-23

  The invention relates to substituted sulphoximines according to the general formula (I): in which A, E, G, X, R1, R2, R3, R4, R5, R6, R7, R8, m, p, q, are given in the claims, and salts thereof, to pharmaceutical compositions comprising said substituted sulphoximines, to methods of preparing said substituted sulphoximines as well as the use thereof for manufacturing a pharmaceutical composition for the treatment of diseases of dysregulated vascular growth or of diseases which are accompanied with dysregulated vascular growth, wherein the compounds effectively interfere with Tie2 signalling.

  本发明涉及通式(I)的替代硫氧亚胺化合物： 其中A、E、G、X、R1、R2、R3、R4、R5、R6、R7、R8、m、p、q在权利要求书中给出，并且其盐，以及包含所述替代硫氧亚胺化合物的制药组合物，制备所述替代硫氧亚胺化合物的方法以及其用于制造用于治疗失调的血管生长或伴随失调的血管生长的疾病的制药组合物的用途，其中所述化合物有效地干扰Tie2信号传递。
• Discovery of <i>N</i>-(4-(3-Amino-1<i>H</i>-indazol-4-yl)phenyl)-<i>N</i>‘-(2-fluoro-5-methylphenyl)urea (ABT-869), a 3-Aminoindazole-Based Orally Active Multitargeted Receptor Tyrosine Kinase Inhibitor
  作者：Yujia Dai、Kresna Hartandi、Zhiqin Ji、Asma A. Ahmed、Daniel H. Albert、Joy L. Bauch、Jennifer J. Bouska、Peter F. Bousquet、George A. Cunha、Keith B. Glaser、Christopher M. Harris、Dean Hickman、Jun Guo、Junling Li、Patrick A. Marcotte、Kennan C. Marsh、Maria D. Moskey、Ruth L. Martin、Amanda M. Olson、Donald J. Osterling、Lori J. Pease、Niru B. Soni、Kent D. Stewart、Vincent S. Stoll、Paul Tapang、David R. Reuter、Steven K. Davidsen、Michael R. Michaelides

  DOI：10.1021/jm061280h

  日期：2007.4.1

  In our continued efforts to search for potent and novel receptor tyrosine kinase (RTK) inhibitors as potential anticancer agents, we discovered, through a structure-based design, that 3-aminoindazole could serve as an efficient hinge-binding template for kinase inhibitors. By incorporating an N,N'-diaryl urea moiety at the C4-position of 3-aminodazole, a series of RTK inhibitors were generated, which potently inhibited the tyrosine kinase activity of the vascular endothelial growth factor receptor and the platelet-derived growth factor receptor families. A number of compounds with potent oral activity were identified by utilizing an estradiol-induced mouse uterine edema model and an HT1080 human fibrosarcoma xenograft tumor model. In particular, compound 17p (ABT-869) was found to possess favorable pharmacokinetic profiles across different species and display significant tumor growth inhibition in multiple preclinical animal models.