摩熵化学
数据库官网
小程序
打开微信扫一扫
首页 分子通 化学资讯 化学百科 反应查询 关于我们
请输入关键词

2-methyl-3-propan-2-yl-1H-1,2,4-triazine-5,6-dione

中文名称
——
中文别名
——
英文名称
2-methyl-3-propan-2-yl-1H-1,2,4-triazine-5,6-dione
英文别名
——
2-methyl-3-propan-2-yl-1H-1,2,4-triazine-5,6-dione化学式
CAS
——
化学式
C7H11N3O2
mdl
——
分子量
169.18
InChiKey
AHQOUSTXQIDQGS-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):
    0.3
  • 重原子数:
    12
  • 可旋转键数:
    1
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.57
  • 拓扑面积:
    61.8
  • 氢给体数:
    1
  • 氢受体数:
    2

文献信息

  • CEPHEM COMPOUND HAVING PYRIDINIUM GROUP
    申请人:Nishitani Yasuhiro
    公开号:US20140114060A1
    公开(公告)日:2014-04-24
    The present invention provides a novel compound which has a broad antibacterial spectrum and particularly exhibits a high antibacterial activity on β-lactamase-producing gram-negative bacteria. Specifically provided are: a compound represented by formula (I) wherein the meaning of each symbol is as defined in the description, an amino-group-protected form of a type of the compound which has the amino group on a ring in a position-7 side chain, or a pharmaceutically acceptable salt of the compound or the amino-group-protected form; and a pharmaceutical composition containing the compound, the amino-group-protected form or the pharmaceutically acceptable salt.
    本发明提供了一种新型化合物,具有广泛的抗菌谱,特别对产β-内酰胺酶的革兰氏阴性细菌表现出高抗菌活性。具体提供的是:一种由式(I)表示的化合物,其中每个符号的含义如描述中定义的那样,一种在环上具有基团的化合物的保护形式,该化合物在位置-7侧链上具有基团,或者化合物或基团保护形式的药用可接受盐;以及含有该化合物、基团保护形式或药用可接受盐的药物组合物。
  • CEPHEM COMPOUND
    申请人:SHIONOGI & CO., LTD.
    公开号:US20150344502A1
    公开(公告)日:2015-12-03
    A compound of the formula: wherein, W is —CH2 − etc.; U is —S − etc.; R 1 is substituted or unsubstituted carbocyclyl etc.; R 2A and R 2B is a) or b) described in the specification; R 3 is a hydrogen atom etc.; R 11 is carboxylate anion (—COO − ) etc.; L is substituted or unsubstituted lower alkylene etc., E is a substituted or unsubstituted divalent group containing quaternary ammonium ion; G is a single bond etc.; D is —C(═O)—C(═O)—NR 6 — etc.; R 10 1) to 3) described in specification; or an amino-protected compound when the amino group is present on the ring in the 7-side chain, or a pharmaceutically acceptable salt thereof.
    公式为:其中,W为—CH2−等;U为—S−等;R1为取代或未取代的碳环等;R2A和R2B为规范中描述的a)或b);R3为氢原子等;R11为羧酸根离子(—COO−)等;L为取代或未取代的较低烷基等;E为含季离子的取代或未取代的双价基团;G为单键等;D为—C(═O)—C(═O)—NR6—等;R10为规范中描述的1)至3);或者是7-侧链环上存在基时的基保护化合物,或其药用可接受盐。
  • Isothiocyanatostilbenes as a novel method and product for treating cancer
    申请人:BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE
    公开号:US10980765B2
    公开(公告)日:2021-04-20
    Products and methods for treating cancer in a human patient comprising administering to the patient therapeutically effective amount of a first pharmaceutically active agent, wherein the first pharmaceutically active agent is one of an isothiocyanatostilbene and a pharmacologically acceptable salt, solvate, ester, amide, clathrate, stereoisomer, enantiomer, prodrug or analog thereof, or a combination thereof.
    用于治疗人类患者癌症的产品和方法,包括向患者施用治疗有效量的第一种药学活性剂,其中第一种药学活性剂是异和药理学上可接受的盐、溶液、酯、酰胺、螯合物、立体异构体、对映体、原药或类似物之一,或其组合。
  • Arenavirus growth inhibitor comprising polycyclic carbamoylpyridone derivative
    申请人:NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY
    公开号:US11492352B2
    公开(公告)日:2022-11-08
    The present invention provides a compound having antiviral activity, especially having arenavirus proliferation inhibitory activity, and/or a medicament comprising the compound. More preferably, the present invention provides a compound having proliferation inhibitory activity on the Old World arenaviruses such as Luna virus, Lassa virus, and lymphocytic choriomeningitis virus and/or the New World arenaviruses such as Junin virus, and/or a medicament comprising the compound. An arenavirus proliferation inhibitor comprising a compound represented by Formula (I) or a prodrug thereof or a pharmaceutically acceptable salt thereof: (wherein R1 is carboxy, or the like; A3 is CR2 or N; R2 is a hydrogen atom, halogen, hydroxy, or the like; R3 is a hydrogen atom, hydroxy, carboxy, cyano, formyl, alkyl optionally substituted with Substituent group F, or the like; either A1 or A2 is CR6R6, and the other is NR7, or A1 is CR8R9, and A2 is CR10R11; and R5, R6, R7, R8, R9, R10, and R11 are each independently a hydrogen atom, carboxy, cyano, alkyl optionally substituted with Substituent group F, or the like).
    本发明提供了一种具有抗病毒活性的化合物,尤其是具有抑制禽流感病毒增殖活性的化合物,和/或包含该化合物的药物。更优选地,本发明提供了一种化合物,该化合物对旧大陆病毒(如卢纳病毒、拉萨病毒和淋巴细胞色素膜炎病毒)和/或新大陆病毒(如朱宁病毒)具有增殖抑制活性,和/或包含该化合物的药物。 一种由式(I)代表的化合物或其原药或其药学上可接受的盐组成的腺病毒增殖抑制剂: (其中 R1 是羧基或类似物;A3 是 CR2 或 N;R2 是氢原子、卤素、羟基或类似物;R3 是氢原子、羟基、羧基、基、甲酰基、任选被取代基 F 取代的烷基或类似物;A1 或 A2 是 CR6R6,另一个是 NR7,或 A1 是 CR8R9,A2 是 CR10R11;以及 R5、R6、R7、R8、R9、R10 和 R11 各自独立地是氢原子、羧基、基、任选被取代基 F 取代的烷基或类似基团)。
  • NOVEL CEPHEM COMPOUND HAVING CATECHOL OR PSEUDO-CATECHOL STRUCTURE
    申请人:Nishitani Yasuhiro
    公开号:US20140088302A1
    公开(公告)日:2014-03-27
    The present invention provides a novel compound which has a wide antimicrobial spectrum, and in particular exhibits potent antimicrobial activity against beta-lactamase producing Gram negative bacteria. Specifically, the present invention provides a compound of the formula (I): wherein each symbol is as defined in the specification, or an amino-protected compound when the amino group is present on the ring in the 7-side chain, or a pharmaceutically acceptable salt thereof, and a pharmaceutical composition comprising the same.
查看更多