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methyl 3-oxo-2-thiazolepropanoate

中文名称
——
中文别名
——
英文名称
methyl 3-oxo-2-thiazolepropanoate
英文别名
methyl 3-oxo-3-(1,3-thiazol-2-yl)propanoate;methyl 3-oxo-3-(1,3-thiazol-2-yl)propionate
methyl 3-oxo-2-thiazolepropanoate化学式
CAS
——
化学式
C7H7NO3S
mdl
——
分子量
185.203
InChiKey
RWDSLNJXQVGSII-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

计算性质

  • 辛醇/水分配系数(LogP):
    1
  • 重原子数:
    12
  • 可旋转键数:
    4
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.29
  • 拓扑面积:
    84.5
  • 氢给体数:
    0
  • 氢受体数:
    5

反应信息

  • 作为反应物:
    参考文献:
    名称:
    Optimization of Pyrrolamide Topoisomerase II Inhibitors Toward Identification of an Antibacterial Clinical Candidate (AZD5099)
    摘要:
    AZD5099 (compound 63) is an antibacterial agent that entered phase 1 clinical trials targeting infections caused by Gram-positive and fastidious Gram-negative bacteria. It was derived from previously reported pyrrolamide antibacterials and a fragment-based approach targeting the ATP binding site of bacterial type II topoisomerases. The program described herein varied a 3-piperidine substituent and incorporated 4-thiazole substituents that form a seven-membered ring intramolecular hydrogen bond with a 5-position carboxylic acid. Improved antibacterial activity and lower in vivo clearances were achieved. The lower clearances were attributed, in part, to reduced recognition by the multidrug resistant transporter Mrp2. Compound 63 showed notable efficacy in a mouse neutropenic Staphylococcus aureus infection model. Resistance frequency versus the drug was low, and reports of clinical resistance due to alteration of the target are few. Hence, 63 could offer a novel treatment for serious issues of resistance to currently used antibacterials.
    DOI:
    10.1021/jm500462x
  • 作为产物:
    描述:
    2-乙酰基噻唑氰基甲酸甲酯正丁基锂二异丙胺 作用下, 以 乙醚正己烷 为溶剂, 以99%的产率得到methyl 3-oxo-2-thiazolepropanoate
    参考文献:
    名称:
    AZOLE INHIBITORS OF CYTOKINE PRODUCTION
    摘要:
    具有以下化学式的化合物对于治疗由白细胞介素-2、白细胞介素-4或白细胞介素-5产生抑制剂预防或改善的疾病是有用的。
    公开号:
    US20010044445A1
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文献信息

  • Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives
    申请人:——
    公开号:US20030225274A1
    公开(公告)日:2003-12-04
    The present invention relates to a process for preparing stereoisomerically enriched 3-heteroaryl-3-hydroxycarboxylic esters by reducing 3-heteroaryl-3-oxocarboxylic esters in the presence of ruthenium-containing catalysts.
    本发明涉及一种在含有钌催化剂的情况下还原3-杂环基-3-酮羧酸酯以制备立体异构富集的3-杂环基-3-羟基羧酸酯的方法。
  • PIPERDINE COMPOUNDS AND USES THEREOF-911
    申请人:Basarab Gregory
    公开号:US20080312255A1
    公开(公告)日:2008-12-18
    Compounds of formula (I) and their pharmaceutically acceptable salts are described. Processes for their preparation, pharmaceutical compositions containing them, their use as medicaments and their use in the treatment of bacterial infections are also described.
    描述了化合物的公式(I)及其药用盐。还描述了它们的制备过程、含有它们的药物组合物、作为药物的用途以及在治疗细菌感染中的用途。
  • [EN] PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION<br/>[FR] INHIBITEURS DE TYPE PYRAZOLE DE LA PRODUCTION DE CYTOKINE
    申请人:ABBOTT LABORATORIES
    公开号:WO1999051580A1
    公开(公告)日:1999-10-14
    (EN) Compounds having formula (I) are useful for treating diseases that are prevented by or ameliorated with Interleukin-2, Interleukin-4, or Interleukin-5 production inhibitors.(FR) La présente invention concerne des composés représentés par la formule (I) convenant pour le traitement de maladies pour lesquelles les inhibiteurs de production de l'interleukine 2, de l'interleukine 4 ou de l'interleukine 5 ont un effet préventif ou bénéfique.
    (I)式化合物可用于治疗由Interleukin-2、Interleukin-4或Interleukin-5产生抑制剂预防或缓解的疾病。
  • NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF
    申请人:Kiyoto Taro
    公开号:US20100168418A1
    公开(公告)日:2010-07-01
    A nitrogen-containing heterocyclic compound represented by the general formula: wherein the dashed line represents a single bond or a double bond; R 1 , R 2 , R 3 , R 4 and R 5 independently represent a hydrogen atom, halogen atom, a lower alkyl, aryl, lower alkoxy or monocyclic heterocyclic group which may be substituted or the like; R 6 represents a lower alkyl, aryl, monocyclic heterocyclic, bicyclic heterocyclic or tricyclic heterocyclic group which may be substituted; X 1 represents a lower alkylene group or the like; X 2 represents a lower alkylene, lower alkenylene or lower alkynylene group which may be substituted; X 3 represents an oxygen atom, sulfur atom, a sulfinyl group, sulfonyl group or the like; Y 1 represents a bivalent cyclic group, containing a nitrogen, which may be substituted or the like; and Z 1 represents a nitrogen atom, a carbon atom which may be substituted or the like, or a salt thereof. The compound or salt has a potent antibacterial activity and a high safety, and is therefore useful as an excellent antibacterial agent.
    一种含氮杂环化合物,通式如下:其中虚线代表单键或双键;R1、R2、R3、R4和R5分别独立地代表氢原子、卤素原子、较低的烷基、芳基、较低的烷氧基或可以被取代的单环杂环基等;R6代表较低的烷基、芳基、单环杂环、双环杂环或三环杂环基,可以被取代;X1代表较低的烷基亚基或类似物;X2代表可以被取代的较低烷基、较低烯基或较低炔基亚基;X3代表氧原子、硫原子、亚砜基、磺酰基或类似物;Y1代表含有氮的二价环状基团,可以被取代或类似物;Z1代表氮原子、可以被取代的碳原子或类似物,或其盐。该化合物或盐具有强效的抗菌活性和高度的安全性,因此可用作优良的抗菌剂。
  • QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION
    申请人:KIYOTO Taro
    公开号:US20120214990A1
    公开(公告)日:2012-08-23
    A nitrogen-containing heterocyclic compound or pharmaceutically acceptable salt thereof represented by the general formula: which have a potent antibacterial activity and a high safety. Thus, the compounds are useful as antibacterial agents against gram-positive bacteria, gram-negative bacteria and drug resistant bacteria.
    一种含氮杂环化合物,或其药学上可接受的盐,其通式如下:具有强效的抗菌活性和高安全性。因此,这些化合物可用作抗革兰阳性菌、抗革兰阴性菌和抗药性菌的抗菌剂。
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