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3-carboxymethyl-5-hydroxymethylaminomethylidenerhodaninethanolamine salt | 98984-32-8

中文名称
——
中文别名
——
英文名称
3-carboxymethyl-5-hydroxymethylaminomethylidenerhodaninethanolamine salt
英文别名
2-aminoethanol;2-[5-[(2-hydroxyethylamino)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
3-carboxymethyl-5-hydroxymethylaminomethylidenerhodaninethanolamine salt化学式
CAS
98984-32-8
化学式
C2H7NO*C8H10N2O4S2
mdl
——
分子量
323.394
InChiKey
JMEVFDHDYWWFEZ-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):
    -1.71
  • 重原子数:
    20.0
  • 可旋转键数:
    6.0
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.5
  • 拓扑面积:
    136.12
  • 氢给体数:
    5.0
  • 氢受体数:
    8.0

反应信息

  • 作为产物:
    参考文献:
    名称:
    Preparations of 5-alkylmethylidene-3-carboxymethylrhodanine derivatives and their aldose reductase inhibitory activity.
    摘要:
    3-羧甲基罗丹宁(1)与醛(2a-u)反应,选择性地生成了5-单烷亚甲基-3-羧甲基罗丹宁(3a-u)。通过X射线结构分析,确认5-单烷亚甲基-3-羧甲基罗丹宁(3k)的构型为Z型。讨论了立体选择性反应途径。还合成了几种5-二烷亚甲基-3-羧甲基罗丹宁(15a-f)和3-羧甲基罗丹宁的烷基氨基衍生物(18a-o)。这些产物被评估了醛糖还原酶抑制活性,其中一半显示出了有价值的抑制活性。
    DOI:
    10.1248/cpb.38.1911
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文献信息

  • Rhodanines useful as a therapeutic agent for diabetic complications
    申请人:Kaken Pharmaceutical Co., Ltd.
    公开号:US04606860A1
    公开(公告)日:1986-08-19
    A rhodanine derivative having the following general formula (I): ##STR1## wherein R is a mono- or di-alkylamino group having 1 to 6 carbon atoms which may be substituted by a hydroxyl group; an alkenylamino group having 3 to 6 carbon atoms; a phenylamino group, the benzene ring of which may be substituted by a lower alkyl group, a lower alkoxyl group, phenyl group or a halogen atom; or a cyclic amino group which may contain in the ring an oxygen atom or a nitrogen atom to which a lower alkyl group is attached; or a nontoxic salt thereof. The rhodanine derivative has potent platelet aggregation inhibiting activity and aldose reductase inhibiting activity and therefore is useful as a therapeutic agent for diabetic complications.
    一种罗丹明衍生物,具有以下通式(I):##STR1## 其中R是具有1至6个碳原子的单烷基或双烷基氨基基团,可以被羟基取代; 具有3至6个碳原子的烯基氨基基团; 苯胺基团,其苯环可以被较低的烷基、较低的烷氧基、苯基或卤素原子取代; 或者是一个环状氨基基团,该环中可能含有一个氧原子或一个氮原子,该原子上附有一个较低的烷基; 或者是其无毒盐。该罗丹明衍生物具有强效的血小板聚集抑制活性和醛固酮还原酶抑制活性,因此可用作糖尿病并发症的治疗剂。
  • Rhodanine derivative, process for preparing the same and pharmaceutical composition containing the same
    申请人:Kaken Pharmaceutical Co., Ltd.
    公开号:EP0143461A2
    公开(公告)日:1985-06-05
    A rhodanine derivative having the following general formula (I): wherein R is an acyclic alkyl group having 2 to 10 carbon atoms which may be substituted by a halogen atom; an acyclic alkenyl group having 2 to 19 carbon atoms which may be substituted by a halogen atom; a mono- or di-alkylamino group having 1 to 6 carbon atoms which may be substituted by a hydroxyl group; an alkenylamino group having 3 to 6 carbon atoms; a phenylamino group, the benzene ring of which may be substituted by a lower alkyl group, a lower alkoxyl group, phenyl group or a halogen atom; or a cyclic amino group which may contain in the ring an oxygen atom or a nitrogen atom to which a lower alkyl group is attached; or a nontoxic salt thereof. The rhodanine derivative has potent platelet aggregation inhibiting activity and aldose reductase inhibiting activity and therefore is useful as a therapeutic agent for diabetic complications.
    具有以下通式(I)的罗丹宁衍生物: 其中 R 是具有 2 至 10 个碳原子、可被卤素原子取代的无环烷基;具有 2 至 19 个碳原子、可被卤素原子取代的无环烯基;具有 1 至 6 个碳原子、可被羟基取代的单烷基或二烷基氨基;具有 3 至 6 个碳原子的烯胺基;苯胺基,其苯环可被低级烷基、低级烷氧基、苯基或卤素原子取代;或环状氨基,其环中可含有一个氧原子或一个氮原子,并与低级烷基相连;或其无毒盐。罗丹宁衍生物具有强效的血小板聚集抑制活性和醛糖还原酶抑制活性,因此可用作糖尿病并发症的治疗剂。
  • US4606860A
    申请人:——
    公开号:US4606860A
    公开(公告)日:1986-08-19
  • Preparations of 5-alkylmethylidene-3-carboxymethylrhodanine derivatives and their aldose reductase inhibitory activity.
    作者:Yoshitaka OHISHI、Teruo MUKAI、Michiko NAGAHARA、Motoyuki YAJIMA、Norio KAJIKAWA、Kazumoto MIYAHARA、Tsunehiro TAKANO
    DOI:10.1248/cpb.38.1911
    日期:——
    Reactions of 3-carboxymethylrhodanine (1) with aldehydes (2a-u) afforded stereoselectively the 5-monoalkymethylidene-3-carboxymethylrhodanines (3a-u). The configuration of the 5-monoalkylmethylidene-3-carboxymethylrhodanine (3k) were examined by X-ray structure analysis and confirmed to be Z-configuration. The stereoselective reaction path was discussed. Several 5-dialkylmethylidene-3-carboxymethylrhodanines (15a-f) and alkyl-amino derivatives of 3-carboxymethylrhodanines (18a-o) were also prepared.These products were evaluated for aldose reductase-inhibitory potency and half of them exhibited valuable inhibitory potency.
    3-羧甲基罗丹宁(1)与醛(2a-u)反应,选择性地生成了5-单烷亚甲基-3-羧甲基罗丹宁(3a-u)。通过X射线结构分析,确认5-单烷亚甲基-3-羧甲基罗丹宁(3k)的构型为Z型。讨论了立体选择性反应途径。还合成了几种5-二烷亚甲基-3-羧甲基罗丹宁(15a-f)和3-羧甲基罗丹宁的烷基氨基衍生物(18a-o)。这些产物被评估了醛糖还原酶抑制活性,其中一半显示出了有价值的抑制活性。
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