Ph2NC(O)NHSO2Cl | 1007126-34-2

• 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: Ph2NC(O)NHSO2Cl
• 英文别名: N,N-diphenyl-N'-chlorosulfonyl urea；[(diphenylamino)carbonyl]sulfamoyl chloride；diphenylcarbamoylsulfamoyl chloride；Urea, n'-(chlorosulfonyl)-n,n-diphenyl-；N-(diphenylcarbamoyl)sulfamoyl chloride
• CAS: 1007126-34-2
• 化学式: C₁₃H₁₁ClN₂O₃S
• 分子量: 310.761
• InChiKey: WFQMIVUPNSQGBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  74.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Ph2NC(O)NHSO2Cl 在 三氯化铝 、 五氯化磷 、 一水合肼 作用下， 以 氯仿 为溶剂， 反应 1.0h， 生成 3-hydrazino-4-phenyl-4H-1,2,4-benzothiadiazine 1,1-dioxide
  参考文献：
  名称：

  Anti-tubercular agents. Part 3. Benzothiadiazine as a novel scaffold for anti-Mycobacterium activity

  摘要：

  In an effort to develop new and more effective therapies to treat tuberculosis, a series of benzothiadiazine 1,1-dioxide derivatives were synthesized and their in vitro activity against Mycobacterium tuberculosis, Mycobacterium avium and Mycobacterium intracellulare was evaluated. One of the compounds, 8c, exhibited potent anti-tubercular activity, particularly for the resistant strains and thus prompted us to investigate its in vivo profile. However, the in vivo testing in a mouse model of tuberculosis infection did not show significant anti-tubercular activity, probably because of its poor bioavailability. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.08.063
• 作为产物：
  描述：

  氯磺酰异氰酸酯 、 二苯胺 以 硝基甲烷 为溶剂， 反应 0.5h， 生成 Ph2NC(O)NHSO2Cl
  参考文献：
  名称：

  某些新型10-取代的2-（4-哌啶基/苯基）-5,5-二氧杂[1,2,4]三唑[1,5-b] [1,2,4]的合成，结构分析和抗菌活性]苯并噻二嗪衍生物。

  摘要：

  新的10-取代的5,5-二氧-5,10-二氢[1,2,4]三唑[1,5-b]-[1,2,4]苯并噻二嗪芳基磺酰胺衍生物系列（10a-j和13a -f）被合成。这些化合物的结构在光谱数据，元素分析，X射线分析和量子化学计算的基础上得到确认。评价了这些化合物作为针对各种革兰氏阳性和革兰氏阴性细菌的抗菌剂的功效。在这些化合物10f和10i中，对大肠杆菌的活性最高，对大肠杆菌和枯草芽孢杆菌的活性最高的化合物13e。此外，与标准药物相比，其他化合物也显示出有效的抑制活性。

  DOI：

  10.1016/j.bmcl.2007.07.043

文献信息

• Heteroaryl compounds useful as inhibitors of E1 activating enzymes
  申请人：Claiborne F. Christopher

  公开号：US20080051404A1

  公开（公告）日：2008-02-28

  This invention relates to compounds that inhibit E1 activating enzymes, pharmaceutical compositions comprising the compounds, and methods of using the compounds. The compounds are useful for treating disorders, particularly cell proliferation disorders, including cancers, inflammatory and neurodegenerative disorders; and inflammation associated with infection and cachexia.

  这项发明涉及抑制E1激活酶的化合物，包括这些化合物的药物组合物，以及使用这些化合物的方法。这些化合物可用于治疗疾病，特别是细胞增殖性疾病，包括癌症、炎症和神经退行性疾病；以及与感染和虚弱相关的炎症。
• Process for the preparation of topiramate
  申请人：Arvai Geza

  公开号：US20060040874A1

  公开（公告）日：2006-02-23

  The present invention relates to a process for the preparation of topiramate, intermediates in this process and a process for the preparation of these intermediates.

  本发明涉及一种制备托吡酯的方法，以及在该过程中的中间体和制备这些中间体的方法。
• HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES
  申请人：Claiborne Christopher F.

  公开号：US20120071482A1

  公开（公告）日：2012-03-22

  This invention relates to compounds that inhibit E1 activating enzymes, pharmaceutical compositions comprising the compounds, and methods of using the compounds. The compounds are useful for treating disorders, particularly cell proliferation disorders, including cancers, inflammatory and neurodegenerative disorders; and inflammation associated with infection and cachexia.

  本发明涉及抑制E1激活酶的化合物、包含该化合物的制药组合物以及使用该化合物的方法。该化合物可用于治疗疾病，特别是细胞增殖性疾病，包括癌症、炎症和神经退行性疾病；以及与感染和消瘦相关的炎症。
• Catalyst-Controlled, Site-Selective Sulfamoylation of Carbohydrate Derivatives
  作者：Daniel J. Gorelik、Julia A. Turner、Mark S. Taylor

  DOI：10.1021/acs.orglett.2c01590

  日期：2022.7.29

  Methods for site-selective sulfamoylation of secondary hydroxyl groups in pyranosides are described. Using a boronic acid catalyst, selective installation of a Boc-protected sulfamoyl group at the equatorial position of cis-diols in manno- and galacto-configured substrates has been achieved. Activation of trans-diol groups in gluco- and galacto-configured substrates is also possible by employing an

  描述了对吡喃糖苷中仲羟基进行位点选择性磺胺酰化的方法。使用硼酸催化剂，已实现在甘露糖和半乳糖构型底物中顺式二醇的赤道位置选择性安装 Boc 保护的氨磺酰基。通过使用有机锡催化剂也可以激活葡萄糖和半乳糖配置的底物中的反式二醇基团。
• Dynamic stereochemistry of Topiramate (anticonvulsant drug) in solution: theoretical approaches and experimental validation
  作者：Mina Ghiasi、Afsaneh Arefi Oskouie、Hamdollah Saeidian

  DOI：10.1016/j.carres.2011.11.010

  日期：2012.2

  Topiramate, an antiepileptic drug, was synthesized with an improved protocol and identified by H-1 NMR, C-13 NMR, H-1-H-1 COSY, HMQC and HMBC spectrum. In parallel, density functional theory (DFT) using B3LYP functional and split-valance 6-311++G** basis set has been used to optimize the structures and conformers of Topiramate. Also experimental and theoretical methods have been used to correlate the dependencies of (1)J and (2)J involving H-1 and C-13 on the C1-C2 (omega) and C1-01 (theta) torsion angles in the glycosidic part of Topiramate. New Karplus equations are proposed to assist in the structural interpretation of these couplings. Importantly, due to the sensitivity of some couplings, most notably (2)J(H1R,H1S), (2)J(C2,H1R) and (2)J(C2,H1S) values depend on both C-C (omega) and C-O (theta) torsion angles. Analyses of experimental coupling constants for protons on the pyranose ring of Topiramate indicate a twist boat structure for Topiramate in solution. In all calculations solvent effects were considered using a polarized continuum model (PCM). (C) 2011 Elsevier Ltd. All rights reserved.