2-methylthioethoxyamine | 101512-32-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-methylthioethoxyamine
• 英文别名: methylthioethoxyamine；O-<2-Methylmercapto-aethoxy>-hydroxylamin；O-(2-methylsulfanylethyl)hydroxylamine；O-(2-methylthio)ethylhydroxylamine；O-[2-(methylsulfanyl)ethyl]hydroxylamine
• CAS: 101512-32-7
• 化学式: C₃H₉NOS
• mdl: MFCD16038315
• 分子量: 107.177
• InChiKey: WAQMADQIOCFJRY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  6
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  60.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-5-formyl-N-(2-hydroxyethoxy)benzamide 、 2-methylthioethoxyamine 以 四氢呋喃 、 二氯甲烷 为溶剂， 以90%的产率得到3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-5-(2-methylsulfanylethoxyiminomethyl)benzamide
  参考文献：
  名称：

  Design and synthesis of novel allosteric MEK inhibitor CH4987655 as an orally available anticancer agent

  摘要：

  The MAP kinase pathway is one of the most important pathways involved in cell proliferation and differentiation, and its components are promising targets for antitumor drugs. Design and synthesis of a novel MEK inhibitor, based on the 3D-structural information of the target enzyme, and then multidimensional optimization including metabolic stability, physicochemical properties and safety profiles were effectively performed and led to the identification of a clinical candidate for an orally available potent MEK inhibitor, CH4987655, possessing a unique 3-oxo-oxazinane ring structure at the 5-position of the benzamide core structure. CH4987655 exhibits slow dissociation from the MEK enzyme, remarkable in vivo antitumor efficacy both in mono-and combination therapy, desirable metabolic stability, and insignificant MEK inhibition in mouse brain, implying few CNS-related side effects in human. An excellent PK profile and clear target inhibition in PBMC were demonstrated in a healthy volunteer clinical study. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.01.062
• 作为产物：
  描述：

  N-(2-methylsulfanyl-ethoxy)-acetimidic acid ethyl ester 在 盐酸 作用下， 以 乙醚 为溶剂， 生成 2-methylthioethoxyamine
  参考文献：
  名称：

  Hydroxylamine derivatives

  摘要：

  DOI：

  10.1007/bf00906825

文献信息

• Bicyclo[3,1,0]hexane containing oxazolidinone antibioytics and derivatives thereof
  申请人：Kyorin Pharmaceutical Co., Ltd.

  公开号：US20030125367A1

  公开（公告）日：2003-07-03

  Oxazolidinones having a bicyclic[3.1.0] hexane containing moiety, which are effective against aerobic and anerobic pathogens such as multi-resistant staphylococci, streptococci and enterococci, Bacteroides spp., Clostridia spp. species, as well as acid-fast organisms such as Mycobacterium tuberculosis and other mycobacterial species. The compounds are represented by structural formula I: 1 its enantiomer, diastereomer, or pharmaceutically acceptable salt or ester thereof, and wherein the variables R 1 , R 2 , R 3 , R 4 , R 4a , A, Ar, HAr, n, r, and s are as defined herein.

  含有含有双环[3.1.0]己烷基团的噁唑烷酮，对需氧菌和厌氧病原体具有有效作用，如多耐药葡萄球菌、链球菌和肠球菌、Bacteroides属、Clostridia属物种，以及酸快细菌如结核分枝杆菌和其他分枝杆菌物种。该化合物由结构式I表示：其对映体、二对映体或其药用可接受的盐或酯，其中变量R1、R2、R3、R4、R4a、A、Ar、HAr、n、r和s的定义如本文所述。
• CONDENSED HETEROCYCLIC COMPOUND HAVING A BRIDGEHEAD NITROGEN ATOM OR SALT THEREOF, AGRICULTURAL OR HORTICULTURAL INSECTICIDE COMPRISING THE COMPOUND, AND METHOD FOR USING THE INSECTICIDE
  申请人：Nihon Nohyaku Co., Ltd.

  公开号：US20220242869A1

  公开（公告）日：2022-08-04

  Objects of the present invention are to develop and provide a compound or a salt thereof, and a novel agricultural or horticultural insecticide containing the compound or the salt thereof, and to provide an agent for eliminating ectoparasites or endoparasites of animals. The objects can be achieved by a compound in which a pyridine ring containing an oxime group is bound to a condensed heterocyclic compound having a bridgehead nitrogen atom represented by the following general formula (1): or a salt thereof, an agricultural or horticultural insecticide containing the compound or the salt thereof as an active ingredient, an animal endoparasite or ectoparasite control agent containing the compound or the salt thereof as an active ingredient, and a method for using the insecticide or the control agent.
• AGRICULTURAL OR HORTICULTURAL INSECTICIDE OR ANIMAL ECTOPARASITE OR ENDOPARASITE CONTROL AGENT EACH COMPRISING AN IMIDAZOPYRIDAZINE COMPOUND OR A SALT THEREOF AS ACTIVE INGREDIENT, AND METHOD FOR USING THE INSECTICIDE OR THE CONTROL AGENT
  申请人：NIHON NOHYAKU CO., LTD.

  公开号：US20220324870A1

  公开（公告）日：2022-10-13

  In crop production in the fields of agriculture, horticulture and the like, the damage caused by insect pests etc. is still immense, and insect pests resistant to existing insecticides have emerged. The present invention has been made in view of such circumstances, and an object of the present invention is to develop and provide a novel agricultural or horticultural insecticide. Another object of the present invention is to provide an agent capable of eliminating ectoparasites or endoparasites of animals. These objects are achieved by an imidazopyridazine compound represented by the general formula (1): (wherein R 1 preferably represents a haloalkyl group, R 2 preferably represents a thienyl group, and R 3 preferably represents an alkylthioalkyl group) or a salt thereof, an agricultural or horticultural insecticide or an animal ectoparasite or endoparasite control agent each comprising the compound or the salt thereof as an active ingredient, and a method for using the compound or the salt thereof, the insecticide, or the control agent.
• Design and synthesis of novel allosteric MEK inhibitor CH4987655 as an orally available anticancer agent
  作者：Yoshiaki Isshiki、Yasunori Kohchi、Hitoshi Iikura、Yasuaki Matsubara、Kohsuke Asoh、Takeshi Murata、Masami Kohchi、Eisaku Mizuguchi、Shinji Tsujii、Kazuo Hattori、Takaaki Miura、Yasushi Yoshimura、Satoshi Aida、Masanori Miwa、Ryoichi Saitoh、Naoaki Murao、Hisafumi Okabe、Charles Belunis、Cheryl Janson、Christine Lukacs、Verena Schück、Nobuo Shimma

  DOI：10.1016/j.bmcl.2011.01.062

  日期：2011.3

  The MAP kinase pathway is one of the most important pathways involved in cell proliferation and differentiation, and its components are promising targets for antitumor drugs. Design and synthesis of a novel MEK inhibitor, based on the 3D-structural information of the target enzyme, and then multidimensional optimization including metabolic stability, physicochemical properties and safety profiles were effectively performed and led to the identification of a clinical candidate for an orally available potent MEK inhibitor, CH4987655, possessing a unique 3-oxo-oxazinane ring structure at the 5-position of the benzamide core structure. CH4987655 exhibits slow dissociation from the MEK enzyme, remarkable in vivo antitumor efficacy both in mono-and combination therapy, desirable metabolic stability, and insignificant MEK inhibition in mouse brain, implying few CNS-related side effects in human. An excellent PK profile and clear target inhibition in PBMC were demonstrated in a healthy volunteer clinical study. (C) 2011 Elsevier Ltd. All rights reserved.
• Hydroxylamine derivatives
  作者：R. M. Khomutov、E. S. Severin、N. V. Gnuchev、T. Ya. Derevyanko

  DOI：10.1007/bf00906825

  日期：1967.8