(2S)-2-[(tert-butoxycarbonyl)amino]propyl methanesulfonate | 126301-16-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: (2S)-2-[(tert-butoxycarbonyl)amino]propyl methanesulfonate
• 英文别名: (S)-2-((tert-butoxycarbonyl)amino)propyl methanesulfonate；tert-butyl N-[(2S)-1-(methanesulfonyloxy)propan-2-yl]carbamate；(S)-Methanesulfonic acid 2-Boc-aminopropyl ester；[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] methanesulfonate
• CAS: 126301-16-4
• 化学式: C₉H₁₉NO₅S
• 分子量: 253.32
• InChiKey: NLKBUJQLMRHSKP-ZETCQYMHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  90.1
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2924199090
• 危险性防范说明：
  P261,P264,P271,P280,P302+P352,P304+P340,P305+P351+P338,P312,P362,P403+P233,P501
• 危险性描述：
  H315,H319,H335
• 储存条件：
  室温，惰性气体

反应信息

• 作为反应物：
  描述：

  (2S)-2-[(tert-butoxycarbonyl)amino]propyl methanesulfonate 在 palladium on activated charcoal sodium azide 、 氢气 作用下， 以 甲醇 、 六甲基磷酰三胺 为溶剂， 反应 8.0h， 生成 S-2-n-boc-1,2-丙二胺
  参考文献：
  名称：

  Kokotos, George; Constantinou-Kokotou, Violetta, Journal of Chemical Research, Miniprint, 1992, # 12, p. 3117 - 3132

  摘要：

  DOI：
• 作为产物：
  描述：

  N-Boc-L-丙氨醇 在 甲基磺酰氯 、 三乙胺 作用下， 以 乙醚 为溶剂， 反应 1.0h， 生成 (2S)-2-[(tert-butoxycarbonyl)amino]propyl methanesulfonate
  参考文献：
  名称：

  Novel methyl substituted 1-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanones are P2X7 antagonists

  摘要：

  The optimization efforts that led to a novel series of methyl substituted 1-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanones that are potent rat and human P2X7 antagonists are described. These efforts resulted in the discovery of compounds with good drug-like properties that are capable of high P2X7 receptor occupancy in rat following oral administration, including compounds 7n (P2X7 IC50 = 7.7 nM) and 7u (P2X7 IC50 = 7.7 nM). These compounds are expected to be useful tools for characterizing the effects of P2X7 antagonism in models of depression and epilepsy, and several of the compounds prepared are candidates for effective P2X7 PET tracers. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.06.004

文献信息

• Novel Bicyclic Pyridinones
  申请人：Pettersson Martin Youngjin

  公开号：US20120252758A1

  公开（公告）日：2012-10-04

  Compounds and pharmaceutically acceptable salts of the compounds are disclosed, wherein the compounds have the structure of Formula I as defined herein. Corresponding pharmaceutical compositions, methods of treatment, methods of synthesis, and intermediates are also disclosed.

  所述化合物及其药用可接受的盐被披露，其中所述化合物具有如本文所定义的Formula I的结构。相应的药物组合物、治疗方法、合成方法和中间体也被披露。
• [EN] MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS<br/>[FR] ANTIBIOTIQUES MACROCYCLIQUES À LARGE SPECTRE
  申请人：RQX PHARMACEUTICALS INC

  公开号：WO2018149419A1

  公开（公告）日：2018-08-23

  Provided herein are antibacterial compounds, wherein the compounds in some embodiments have broad spectrum bioactivity. In various embodiments, the compounds act by inhibition of bacterial type 1 signal peptidase (SpsB), an essential protein in bacteria. Pharmaceutical compositions and methods for treatment using the compounds described herein are also provided.

  本文提供了抗菌化合物，其中在某些实施例中，这些化合物具有广谱生物活性。在各种实施例中，这些化合物通过抑制细菌类型1信号肽酶（SpsB）发挥作用，这是细菌中的一种必需蛋白质。还提供了使用所述化合物的药物组合物和治疗方法。
• Synthetic and theoretical investigation on the one-pot halogenation of β-amino alcohols and nucleophilic ring opening of aziridinium ions
  作者：Yunwei Chen、Xiang Sun、Ningjie Wu、Jingbai Li、Shengnan Jin、Yongliang Zhong、Zirui Liu、Andrey Rogachev、Hyun-Soon Chong

  DOI：10.1039/c5ob01692d

  日期：——

  Aziridinium ions are useful reactive intermediates for the synthesis of enantiomerically enriched building blocks. However, N,N-dialkyl aziridinium ions are relatively underutilized in the synthesis of optically active molecules as compared to other three-membered ring cogeners, aziridines and epoxides. The characterization of both optically active aziridinium ions and secondary β-halo amines as the

  iri啶鎓离子是用于合成对映体富集的结构单元的有用的反应性中间体。然而，与其他三元环同源热氮，氮丙啶和环氧化物相比，N，N-二烷基叠氮鎓离子在光学活性分子的合成中相对未被充分利用。几乎没有报道光学活性的叠氮鎓离子和仲β-卤代胺作为叠氮鎓离子的前体分子的表征，并且常常不清楚。在本文中，我们首次报道了旋光性叠氮鎓离子和仲β-卤代胺的制备以及实验和理论表征。旋光性次生N，NN，N-取代的丙氨醇通过卤化物在氮丙啶鎓离子的更受阻的碳上形成和开环而有效地合成了N-取代的β-卤代胺。通过NMR和计算分析对旋光性β-卤代胺和叠氮鎓离子进行了表征。通过X射线晶体学分析确认旋光性β-氯胺的结构。来自N，N的叠氮鎓离子-二苄基丙二醇仅在数小时内保持稳定，这对于分析NMR和光学活性而言足够长。使用DFT和高精度DLPNO-CCSD（T）方法，通过计算研究了卤化物对氮丙啶鎓离子的立体定向开环。氮丙啶鎓离子的高度区域
• [EN] N-(ARYLALKYL)-N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS<br/>[FR] COMPOSÉS DE N-(ARYLALKYLE)-N'-PYRAZOLYLE-URÉE, DE THIOURÉE, DE GUANIDINE ET DE CYANOGUANIDINE EN TANT QU'INHIBITEURS DE LA KINASE TRKA
  申请人：ARRAY BIOPHARMA INC

  公开号：WO2014078331A1

  公开（公告）日：2014-05-22

  Compounds of Formula I or stereoisomers, tautomers, or pharmaceutically acceptable salts, solvates or prodrugs thereof, wherein Ring A, Ring C, X, Ra, Rb, Rc, Rd and n are as defined herein, are inhibitors of TrkA kinase and are useful in the treatment of diseases which can be treated with a TrkA kinase inhibitor such as pain, cancer, inflammation/inflammatory diseases, neurodegenerative diseases, certain infectious diseases, Sjogren's syndrome, endometriosis, diabetic peripheral neuropathy, prostatitis or pelvic pain syndrome.

  公式I的化合物或立体异构体、互变异构体、或药用可接受的盐、溶剂化物或前药，其中环A、环C、X、Ra、Rb、Rc、Rd和n如本文所述定义，是TrkA激酶的抑制剂，可用于治疗可以用TrkA激酶抑制剂治疗的疾病，如疼痛、癌症、炎症/炎症性疾病、神经退行性疾病、某些传染病、舍格伦综合症、子宫内膜异位症、糖尿病周围神经病变、前列腺炎或骨盆疼痛综合征。
• Synthesis and antimalarial activity of new 4-aminoquinolines active against drug resistant strains
  作者：Srinivasarao Kondaparla、Awakash Soni、Ashan Manhas、Kumkum Srivastava、Sunil K. Puri、S. B. Katti

  DOI：10.1039/c6ra14016e

  日期：——

  containing basic tertiary terminal nitrogen and bioevaluated them for antimalarial activity against Plasmodium falciparum in vitro (CQ-sensitive strain-3D7 & CQ-resistant strain-K1) and Plasmodium yoelii in vivo (N-67 strain). Among the series, thirteen compounds showed superior antimalarial activity against K1 strain as compared to CQ. In addition, all these analogs showed 100% suppression of parasitaemia

  在本研究中，我们通过用含有碱性叔末端氮的无环和/或环胺基团取代氯喹（CQ）的二乙胺官能团，合成了一类新的4-氨基喹啉衍生物，并对它们在体外对恶性疟原虫的抗疟活性进行了生物评价。（CQ敏感菌株3D7和CQ耐药菌株K1）和约氏疟原虫体内（N-67菌株）。在该系列中，与CQ相比，十三种化合物对K1菌株表现出优异的抗疟活性。此外，所有这些类似物在体内在第4天都显示出100％的寄生虫血症抑制口服时可抵抗N-67毒株的小鼠模型。此外，生物物理研究表明这些化合物对血红素聚合目标起作用。