benzyloxycarbonyl-(N-methyl)tauryl chloride | 63692-88-6

• 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: benzyloxycarbonyl-(N-methyl)tauryl chloride
• 英文别名: benzyl (2-(chlorosulfonyl)ethyl)(methyl)carbamate；2-[[(benzyloxy)carbonyl](methyl)-amino]ethane-1-sulfonyl chloride；Benzyl N-[2-(chlorosulfonyl)ethyl]-N-methylcarbamate；benzyl N-(2-chlorosulfonylethyl)-N-methylcarbamate
• CAS: 63692-88-6
• 化学式: C₁₁H₁₄ClNO₄S
• 分子量: 291.755
• InChiKey: NWUWFRIJHQMPQL-UHFFFAOYSA-N

物化性质

• 沸点：
  403.6±34.0 °C(Predicted)
• 密度：
  1.357±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P501,P260,P234,P264,P280,P390,P303+P361+P353,P301+P330+P331,P363,P304+P340+P310,P305+P351+P338+P310,P406,P405
• 危险品运输编号：
  3261
• 危险性描述：
  H314,H290

反应信息

• 作为反应物：
  描述：

  benzyloxycarbonyl-(N-methyl)tauryl chloride 在 吡啶 、 tris-(dibenzylideneacetone)dipalladium(0) 、 caesium carbonate 、 lithium hydroxide 、 2-二环己基磷-2',6'-二异丙氧基-1,1'-联苯 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 水 为溶剂， 反应 76.0h， 生成 4-(5-(2-(((benzyloxy)carbonyl)(methyl)amino)ethylsulfonamido)-6-methoxypyridin-3-yl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carboxylic acid
  参考文献：
  名称：

  Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase δ

  摘要：

  A macrocyclization approach has been explored on a series of benzoxazine phosphoinositide 3-kinase delta inhibitors, resulting in compounds with improved potency, permeability, and in vivo clearance while maintaining good solubility. The thermodynamics of binding was explored via surface plasmon resonance, and the binding of lead macrocycle 19 was found to be almost exclusively entropically driven compared with progenitor 18, which demonstrated both enthalpic and entropic contributions. The pharmacokinetics of macrocycle 19 was also explored in vivo, where it showed reduced clearance when compared with the progenitor 18. This work adds to the growing body of evidence that macrocyclization could provide an alternative and complementary approach to the design of small-molecule inhibitors, with the potential to deliver differentiated properties.

  DOI：

  10.1021/acsmedchemlett.0c00061
• 作为产物：
  描述：

  甲基牛磺酸 生成 benzyloxycarbonyl-(N-methyl)tauryl chloride
  参考文献：
  名称：

  CALCAGNI, A.;GAVUZZO, E.;LUCENTE, G.;MAZZA, F.;PINNEN, F.;POCHETTI, G.;RO+, INT. J. PEPTIDE AND PROTEIN RES., 34,(1989) N, C. 471-479

  摘要：

  DOI：

文献信息

• Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors
  申请人：——

  公开号：US20030055071A1

  公开（公告）日：2003-03-20

  Aza- and polyaza-naphthalenyl carboxamide derivatives including certain quinoline carboxamide and naphthyridine carboxamide derivatives are described. These compounds are inhibitors of HIV integrase and inhibitors of HIV replication, and are useful in the prevention or treatment of infection by HIV and the treatment of AIDS, as compounds or pharmaceutically acceptable salts, or as ingredients in pharmaceutical compositions, optionally in combination with other antivirals, immunomodulators, antibiotics or vaccines. Methods of preventing, treating or delaying the onset of AIDS and methods of preventing or treating infection by HIV are also described.

  描述了包括某些喹啉羧酰胺和萘啉羧酰胺衍生物在内的氮杂萘基羧酰胺衍生物。这些化合物是HIV整合酶的抑制剂和HIV复制的抑制剂，可用于预防或治疗HIV感染和治疗艾滋病，作为化合物或药学上可接受的盐，或作为药物组合物中的成分，可选择与其他抗病毒药物、免疫调节剂、抗生素或疫苗组合使用。还描述了预防、治疗或延缓艾滋病发作的方法，以及预防或治疗HIV感染的方法。
• ORGANIC COMPOUNDS
  申请人：Baeschlin Daniel Kaspar

  公开号：US20090281069A1

  公开（公告）日：2009-11-12

  The present invention relates to compounds of the formula; and their use in therapy.

  本发明涉及公式化合物及其在治疗中的应用。
• LINEAR PEPTIDE ANTIBIOTCS
  申请人：RQX PHARMACEUTICALS, INC.

  公开号：US20160194358A1

  公开（公告）日：2016-07-07

  Provided herein are antibacterial compounds, wherein the compounds in some embodiments have broad spectrum bioactivity. The compounds provided herein can in other embodiments overcome the resistance conferred by single amino acid mutations at defined positions of bacterial Signal Peptidases (SPases) and in other embodiments provide for a broad spectrum of antibiotic bioactivity. Pharmaceutical compositions and methods for treatment using the compounds described herein are also provided.

  本文提供了一些抗菌化合物，其中在某些实施例中，这些化合物具有广谱生物活性。在其他实施例中，这些化合物可以克服细菌信号肽酶（SPases）定义位置上的单个氨基酸突变所带来的耐药性，并提供广谱抗生素生物活性。还提供了使用所述化合物的制药组合物和治疗方法。
• α-Peptide/β-sulfonamidopeptide hybrids: Analogs of the chemotactic agent for-Met-Leu-Phe-OMe
  作者：Cesare Giordano、Gino Lucente、Annalisa Masi、Mario Paglialunga Paradisi、Anna Sansone、Susanna Spisani

  DOI：10.1016/j.bmc.2005.11.043

  日期：2006.4

  In order to gain information on the activity shown by alpha-peptide/beta-sulfonamidopeptide hybrid analogs of the potent chemotactic agent fMLF-OMe, a structure-activity study is reported on N-Boc- and N-formyl tripeptide models containing an aminoalkanesulfonic acid as central residue. Directed migration (chemotaxis), superoxide anion production, and lysozyme release have been measured. The biochemical functions and the conformational properties of the new compounds are discussed and related to previously Studied models containing P-residues. (c) 2005 Elsevier Ltd. All rights reserved.
• CALCAGNI, A.;GAVUZZO, E.;LUCENTE, G.;MAZZA, F.;PINNEN, F.;POCHETTI, G.;RO+, INT. J. PEPTIDE AND PROTEIN RES., 34,(1989) N, C. 471-479
  作者：CALCAGNI, A.、GAVUZZO, E.、LUCENTE, G.、MAZZA, F.、PINNEN, F.、POCHETTI, G.、RO+

  DOI：——

  日期：——