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2-疏基-4-甲基-5-噻唑羧酸乙酯 | 17309-13-6

中文名称
2-疏基-4-甲基-5-噻唑羧酸乙酯
中文别名
——
英文名称
ethyl 4-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate
英文别名
ethyl 4-methyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate;4-Ethoxycarbonyl-5-methyl-2-thioxothiazoline;4-methyl-2-thioxo-2,3-dihydro-thiazole-5-carboxylic acid ethyl ester;4-Methyl-2-thioxo-2,3-dihydro-thiazol-5-carbonsaeure-aethylester;4-Methyl-5-ethoxycarbonyl-Δ4-thiazolin-2-thion;5-Ethoxycarbonyl-4-methyl-4-thiazolin-2-thion;ethyl 4-methyl-2-sulfanylidene-3H-1,3-thiazole-5-carboxylate
2-疏基-4-甲基-5-噻唑羧酸乙酯化学式
CAS
17309-13-6
化学式
C7H9NO2S2
mdl
MFCD01902162
分子量
203.286
InChiKey
OHKNSXMQSNDXAI-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 熔点:
    113 °C
  • 沸点:
    295.2±50.0 °C(Predicted)
  • 密度:
    1.35±0.1 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    1.7
  • 重原子数:
    12
  • 可旋转键数:
    3
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.428
  • 拓扑面积:
    95.7
  • 氢给体数:
    1
  • 氢受体数:
    4

SDS

SDS:3c56038ec605ba0e4a4490e73ceacce6
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上下游信息

  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

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文献信息

  • HETEROARYL-SUBSTITUTED SULFONAMIDE COMPOUNDS AND THEIR USE AS SODIUM CHANNEL INHIBITORS
    申请人:Xenon Pharmaceuticals Inc.
    公开号:US20200071313A1
    公开(公告)日:2020-03-05
    This invention is directed to heteroaryl-substituted sulfonamide compounds, as stereoisomers, enantiomers, tautomers thereof or mixtures thereof; or pharmaceutically acceptable salts, solvates or prodrugs thereof, for the treatment of diseases or conditions associated with voltage-gated sodium channels, such as epilepsy.
    这项发明涉及杂环取代磺酰胺化合物,包括其立体异构体、对映异构体、互变异构体或其混合物;或其药用可接受盐、溶剂合物或前药,用于治疗与电压门控钠通道相关的疾病或症状,如癫痫。
  • Synthesis, X-ray Analysis, Biological Evaluation and Molecular Docking Study of New Thiazoline Derivatives
    作者:Yahia N. Mabkhot、H. Algarni、Abdulrhman Alsayari、Abdullatif Bin Muhsinah、Nabila A. Kheder、Zainab M. Almarhoon、Faiz A. Al-aizari
    DOI:10.3390/molecules24091654
    日期:——
    A series of new thiazoline derivatives were synthesized. Structure analyses were accomplished employing 1H-NMR, 13C-NMR, X-ray and MS techniques. The in vitro antitumor activities were assessed against human hepatocellular carcinoma (HepG-2) and colorectal carcinoma (HCT-116) cell lines. The results revealed that the thiazolines 5b and 2c exhibited significant activity against the two cell lines. The
    合成了一系列新的噻唑啉衍生物。使用1H-NMR、13C-NMR、X-射线和MS技术完成结构分析。针对人肝细胞癌 (HepG-2) 和结直肠癌 (HCT-116) 细胞系评估了体外抗肿瘤活性。结果表明,噻唑啉 5b 和 2c 对两种细胞系表现出显着的活性。体外抗菌筛选表明,噻唑啉 2c、5b 和 5d 对沙门氏菌具有良好的抑制活性。此外,噻唑啉 2e 和 5b 对大肠杆菌的抑制活性与参考化合物庆大霉素的抑制活性相当。
  • 에틸-4-메틸-5-티아졸카복실레이트의 제조방법
    申请人:Kuk Jeon Pharm. (주)국전약품(120000287439) Corp. No ▼ 110111-1181140BRN ▼208-81-25074
    公开号:KR20170033047A
    公开(公告)日:2017-03-24
    본 발명은 통풍 치료제인 페북소스타트의 제조용 중간체로서 사용되는 에틸-4-메틸-5-티아졸카복실레이트를 환경친화적인 조건으로 효율적이고 경제적으로 제조하는 방법을 제공한다.
    本发明提供了一种在环保条件下高效经济地制备用于制造通风治疗剂费布索他特的中间体乙基-4-甲基-5-噻唑羧酰基的方法。
  • 3-(1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS
    申请人:Bonanomi Giorgio
    公开号:US20090124629A1
    公开(公告)日:2009-05-14
    The present invention relates to novel compounds of formula (I) or pharmaceutically acceptable salt thereof: wherein G is selected from a group consisting of: phenyl, pyridyl, benzothiazolyl and indazolyl; p is an integer ranging from 0 to 5; R 1 is independently selected from a group consisting of: halogen, hydroxy, cyano, C 1-4 alkyl, haloC 1-4 alkyl, C 1-4 alkoxy, haloC 1-4 alkoxy, C 1-4 alkanoyl and SF 5 ; or corresponds to a group R 5 ; each R 2 is independently hydrogen, fluorine or C 1-4 alkyl; n is 2, 3, 4, or 5; R 3 is C 1-4 alkyl; R 4 is hydrogen, or a C 1-4 alkyl group, a benzyl group, a phenyl group, a heterocyclyl group, a 5- or 6-membered heteroaromatic group, or a 8- to 11-membered bicyclic group, any of which groups is optionally substituted by 1, 2, 3 or 4 substituents selected from the group consisting of: halogen, cyano, C 1-4 alkyl, haloC 1-4 alkyl, C 1-4 alkoxy, haloC 1-4 alkoxy, C 1-4 alkanoyl and SF 5 ;or R 4 is a —SR 6 group; R 5 is selected from a group consisting of: isoxazolyl, —CH 2 —N-pyrrolyl, 1,1-dioxido- 2-isothiazolidinyl, thienyl, thiazolyl, pyridyl and 2-pyrrolidinonyl, and such a group is optionally substituted by one or two substituents selected from a group consisting of: halogen, cyano, C 1-4 alkyl, haloC 1-4 alkyl, C 1-4 alkoxy and C 1-4 alkanoyl; R 6 is C 1-4 alkyl or —CH 2 C 3-4 cycloalkyl; and when R 1 is chlorine and p is 1, such R 1 is not present in the ortho position with respect to the linking bond to the rest of the molecule; and when R 1 corresponds to R 5 , p is 1. processes for their preparation, intermediates used in these processes, pharmaceutical compositions containing them and their use in therapy, as modulators of dopamine D 3 receptors, e.g. to treat drug dependency, as antipsychotic agents, to treat obsessive compulsive spectrum disorders, premature ejaculation or cognition impairment.
    本发明涉及以下式(I)的新化合物或其药学上可接受的盐:其中G选自以下组:苯基,吡啶基,苯并噻唑基和吲唑基;p为0至5的整数;R1独立选自以下组:卤素,羟基,氰基,C1-4烷基,卤代C1-4烷基,C1-4烷氧基,卤代C1-4烷氧基,C1-4酰基和SF5;或对应于R5基团;每个R2独立地为氢,氟或C1-4烷基;n为2、3、4或5;R3为C1-4烷基;R4为氢,或C1-4烷基,苄基,苯基,杂环基,5-或6-成员杂芳基,或8-至11-成员双环基团,其中任何一个基团可以选择地由1、2、3或4个来自以下组的取代基取代:卤素,氰基,C1-4烷基,卤代C1-4烷基,C1-4烷氧基,卤代C1-4烷氧基,C1-4酰基和SF5;或R4为-SR6基团;R5选自以下组:异噁唑基,-CH2-N-吡咯基,1,1-二氧化-2-异噻唑烷基,噻唑基,吡啶基和2-吡咯烷基,并且此类基团可以选择地由1或2个来自以下组的取代基取代:卤素,氰基,C1-4烷基,卤代C1-4烷基,C1-4烷氧基和C1-4酰基;R6为C1-4烷基或-CH2C3-4环烷基;当R1为氯且p为1时,此类R1不在与分子的其余部分的连接键的正交位置上存在;当R1对应于R5时,p为1。本发明还涉及制备这些化合物的方法,用于这些方法的中间体,包含它们的药物组合物以及它们作为多巴胺D3受体调节剂的用途,例如用于治疗药物依赖,作为抗精神病药物,用于治疗强迫症谱系障碍,早泄或认知障碍。
  • Morpholine Compound
    申请人:Tanaka Yoshihito
    公开号:US20070265257A1
    公开(公告)日:2007-11-15
    A compound represented by the formula (1) wherein ring A is aryl optionally having substituent(s) and the like; ring B is arylene optionally having substituent(s) and the like; m=0-2; n=1-5; X is a bond and the like; Y is a bond and the like; and Z is hydrogen atom and the like or a pharmaceutically acceptable salt thereof, and a hydrate or solvate thereof have affinity for CCR3, and can be pharmaceutical products for the treatment and/or prophylaxis of immune or inflammatory diseases.
    化合物的化学式为(1),其中环A是芳基,可选地具有取代基等;环B是芳烃,可选地具有取代基等;m=0-2;n=1-5;X是键等;Y是键等;Z是氢原子等或其药学上可接受的盐,其水合物或溶剂化物具有对CCR3的亲和力,并可用于治疗和/或预防免疫或炎症性疾病的药物产品。
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