ethyl N-hydroxyacetimidate | 20703-42-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: ethyl N-hydroxyacetimidate
• 英文别名: (Z)-ethyl N-hydroxyacetamidate；ethyl (1Z)-N-hydroxyethanimidate
• CAS: 20703-42-8
• 化学式: C₄H₉NO₂
• 分子量: 103.121
• InChiKey: QWKAVVNRCKPKNM-PLNGDYQASA-N

物化性质

• 熔点：
  84-85 °C
• 沸点：
  164.5±9.0 °C(Predicted)
• 密度：
  0.99±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  7
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  41.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl N-hydroxyacetimidate 在 sodium methylate 作用下， 反应 1.0h， 以89%的产率得到sodium ethyl N-hydroxyacetimidate
  参考文献：
  名称：

  Johnson; Boxer; Drummond, Arzneimittel-Forschung/Drug Research, 1989, vol. 39, # 4, p. 432 - 437

  摘要：

  DOI：
• 作为产物：
  描述：

  ethyl N-hydroxyacetimidate 在 盐酸 作用下， 以 乙醚 为溶剂， 生成 ethyl N-hydroxyacetimidate
  参考文献：
  名称：

  Kjaer,A. et al., Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1977, vol. 31, p. 415 - 423

  摘要：

  DOI：

文献信息

• [EN] DC-SIGN ANTIBODY CONJUGATES COMPRISING STING AGONISTS<br/>[FR] CONJUGUÉS D'ANTICORPS DC-SIGN COMPRENANT DES AGONISTES DE STING
  申请人：NOVARTIS AG

  公开号：WO2020092617A1

  公开（公告）日：2020-05-07

  Provided herein are immunoconjugates comprising an anti-DC-SiGN antibody conjugated to a STING agonist. Also disclosed are methods of making the immunoconjugates and methods of treating cancer using the immunoconjugates.

  本文件提供了包含抗-DC-SiGN抗体与STING激动剂偶联的免疫偶联物。还公开了制造免疫偶联物的方法以及使用免疫偶联物治疗癌症的方法。
• Aminium salts of 1,2,3-triazoles as prodrugs of drugs including antiviral agents
  申请人：Kadow F. John

  公开号：US20060142298A1

  公开（公告）日：2006-06-29

  This disclosure provides compounds having drug and bio-affecting properties, their pharmaceutical compositions and method of use. In particular, the disclosure is concerned with new aminium salts of 1,2,3-triazoles which can be used as prodrugs to improve the solubility or pharmaceutical properties of 1,2,3-triazole containing compounds. More particularly, the present disclosure relates to compounds containing N-aminium-1,2,3-triazoles that are useful as antiviral agents and specifically for the treatment of HIV and AIDS.

  本公开提供具有药物和生物影响性质的化合物，它们的药物组合物和使用方法。具体而言，本公开涉及新的1,2,3-三唑的氨盐，可用作前药，以改善含有1,2,3-三唑化合物的溶解性或药物性质。更具体地说，本公开涉及含有N-氨盐基-1,2,3-三唑的化合物，可用作抗病毒剂，特别是用于治疗艾滋病毒（HIV）和艾滋病。
• [EN] AZETIDINE MODULATORS OF THE SPHINGOSINE 1-PHOSPHATE RECEPTOR<br/>[FR] MODULATEURS AZÉTIDINE DU RÉCEPTEUR DE LA SPHINGOSINE 1-PHOSPHATE
  申请人：AUSPEX PHARMACEUTICALS INC

  公开号：WO2017120124A1

  公开（公告）日：2017-07-13

  Described are deuterium-substituted azetidine compounds of Formula (I), which are modulators of sphingosine 1 -phosphate receptor. Also described are pharmaceutical compositions comprising the deuterium-substituted azetidine compounds, and methods of use thereof.

  描述了公式（I）的氘代替的氮杂环丙烷化合物，它们是鞘氨醇1-磷酸受体的调节剂。还描述了包含氘代替的氮杂环丙烷化合物的药物组合物，以及其使用方法。
• MS565: A SPECT Tracer for Evaluating the Brain Penetration of BAF312 (Siponimod)
  作者：Emmanuelle Briard、Bettina Rudolph、Sandrine Desrayaud、Joel A. Krauser、Yves P. Auberson

  DOI：10.1002/cmdc.201500115

  日期：2015.6

  could have been introduced in BAF312 without modifying its structure, they do not have decay kinetics compatible with the time required for observing the drug′s organ distribution in patients. In contrast, the SPECT radioisotope 123I has a longer half‐life and would suit this purpose. Herein we report the identification of an iodinated derivative of BAF312, (E)‐1‐(4‐(1‐(((4‐cyclohexyl‐3‐iodobenzyl)ox

  BAF312（siponimod）是一种鞘氨醇-1-磷酸（S1P）受体调节剂，在临床开发中用于治疗多发性硬化症，比其前体FTY720（芬戈莫德）具有更快的器官/组织分布和清除动力学。我们的目标是开发一种示踪剂，以更好地量化BAF312在人脑中的渗透，并有可能被标记为正电子发射断层扫描（PET）或单光子发射计算机断层扫描（SPECT）。尽管可以在不更改其结构的情况下将PET放射性同位素11 C和18 F引入BAF312中，但是它们的衰变动力学与观察患者体内器官分布所需的时间不兼容。相比之下，SPECT放射性同位素123我的半衰期更长，适合这个目的。在此我们报告了BAF312碘化衍生物的鉴定，（E）-1-（4-（1-（（（（4-环己基-3-碘代苄基氧基）亚氨基）乙基）-2-乙基苄基）氮杂环丁烷-3-羧酸（18，MS565），作为SPECT示踪剂候选物，具有与原始分子相似的亲和力，S1P受体选择
• O-[3-(4-Substituted-piperazin-1-yl)-2-hydroxypropyl]-hydroxylamines
  申请人：Hoechst Aktiengesellschaft

  公开号：US04404384A1

  公开（公告）日：1983-09-13

  A compound of general formula ##STR1## wherein X represents a radical selected from the group consisting of one of the formulae ##STR2## in which R.sup.1 represents a radical selected from the group (a) a hydrogen atom, (b) an amino group, when X represents an --OR.sup.1 moiety, (c) an alkyl group having from 1 to 6 carbon atoms (d) an at most binuclear aryl group being unsubstituted or substituted by at most 3 substituents of the group halogen atoms, alkyl, alkoxy, halogenalkyl groups each having up to 4 carbon atoms, cycloalkyl groups having 3 to 6 carbon atoms, nitro and cyano groups; and R.sup.2 and R.sup.3, which may be the same or different, each represents a radical selected from the group (a) a hydrogen atom, (b) an alkyl group having from 1 to 6 carbon atoms, an unsubstituted cycloalkyl group having from 3 to 7 carbon atoms, such cycloalkyl group substituted by at most 3 substituents of the group hydroxy groups and alkoxycarbonyl groups having 1 to 4 carbon atoms, (c) an aralkyl group, a diaralkyl group each having 1 to 4 carbon atoms in the alkyl moiety and being unsubstituted or substituted in at least one of the radicals in the alkyl moiety by hydroxy groups, and in the aryl moieties by at most 3 substituents selected from the group consisting of alkoxy groups having from 1 to 4 carbon atoms and halogen atoms, (d) an at most binuclear aryl group being unsubstituted or substituted by at most 3 substituents selected from the group consisting of alkyl, alkoxy, halogenoalkyl groups each having up to 4 carbon atoms and halogen atoms, (e) a hydroxy group when the other of R.sup.2 and R.sup.3 is hydrogen, (f) R.sup.2 and R.sup.3, together with the nitrogen atom to which they are attached, represent a 5- to 7-membered ring selected from the group consisting of an unsubstituted ring, a ring being substituted by an alkyl group having from 1 to 4 carbon atoms, and a ring being interrupted by a heteroatom selected from the group consisting of oxygen, sulphur and further nitrogen atom, and (g) R.sup.2 and R.sup.3 together with the nitrogen atom to which they are attached, represent a ring from the group a 5-membered heteroaromatic ring containing up to 4 nitrogen atoms and such a ring being anelled to a benzene- or uracil-ring, and physiologically acceptable acid addition salts thereof, a process for their preparation and a pharmaceutical composition containing them.

  一种通式为##STR1##的化合物，其中X代表从以下公式组中选择的基团之一：##STR2## 其中R.sup.1代表从以下组中选择的基团之一：(a)氢原子，(b)氨基，当X代表--OR.sup.1基团时，(c)碳数为1至6的烷基基团，(d)最多为双核的芳基基团，未取代或取代有最多3个卤素原子、烷基、烷氧基、卤代烷基基团，每个碳数最多为4个碳原子，有3至6个碳原子的环烷基基团，硝基和氰基；R.sup.2和R.sup.3可以相同也可以不同，每个代表从以下组中选择的基团之一：(a)氢原子，(b)碳数为1至6的烷基基团，碳数为3至7的未取代环烷基基团，该环烷基基团被最多3个羟基基团和碳数为1至4的烷氧羰基基团取代，(c)芳基烷基基团，二芳基基团，每个烷基基团中的碳数为1至4，并且在烷基基团中的至少一个基团和芳基基团中的最多3个取代基中被羟基基团取代，或被从以下组中选择的最多3个取代基团之一取代：碳数为1至4的烷氧基基团和卤素原子；(d)最多为双核的芳基基团，未取代或取代有最多3个碳数为1至4的烷基、烷氧基、卤代烷基基团和卤素原子的取代基团；(e)羟基，当R.sup.2和R.sup.3中的另一个基团为氢时，(f)R.sup.2和R.sup.3与它们连接的氮原子一起，代表从以下组中选择的5至7元环：未取代的环，被碳数为1至4的烷基取代的环，以及被氧、硫和进一步的氮原子所选择的杂原子中断的环；(g)R.sup.2和R.sup.3与它们连接的氮原子一起，代表从以下组中选择的环：一个含有最多4个氮原子的5元杂芳环，这样的环连接到苯环或尿嘧啶环上，以及其生理上可接受的酸加盐，以及制备它们的方法和含有它们的制药组合物。