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4-ethyl-3,4-dihydro-7-nitro-1,4-benzoxazine | 120711-95-7

中文名称
——
中文别名
——
英文名称
4-ethyl-3,4-dihydro-7-nitro-1,4-benzoxazine
英文别名
4-ethyl-3,4-dihydro-7-nitro-2H-1,4-benzoxazine;4-ethyl-7-nitro-3,4-dihydro-2H-benzo[b][1,4]oxazine;4-ethyl-7-nitro-2,3-dihydro-1,4-benzoxazine
4-ethyl-3,4-dihydro-7-nitro-1,4-benzoxazine化学式
CAS
120711-95-7
化学式
C10H12N2O3
mdl
——
分子量
208.217
InChiKey
PHLDQNNYLCYUSD-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):
    2
  • 重原子数:
    15
  • 可旋转键数:
    1
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.4
  • 拓扑面积:
    58.3
  • 氢给体数:
    0
  • 氢受体数:
    4

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    4-ethyl-3,4-dihydro-7-nitro-1,4-benzoxazine 以173 mg (77%)的产率得到7-amino-4-ethyl-3,4-dihydro-1,4-benzoxazine
    参考文献:
    名称:
    Androgen receptor modulator compounds and methods
    摘要:
    化合物、药物组合物和调节类固醇受体介导过程的方法。具体描述了非类固醇化合物和组合物的制备和使用方法,这些化合物和组合物是雄激素受体(AR)的激动剂、部分激动剂和拮抗剂。此外,还描述了制备和使用关键中间体的方法,包括用于AR调节剂的立体选择性合成路线。
    公开号:
    US06462038B1
  • 作为产物:
    描述:
    7-硝基-3,4-二氢-2H-1,4-苯并噁嗪 在 sodium cyanoborohydride 、 溶剂黄146 作用下, 反应 1.0h, 生成 4-ethyl-3,4-dihydro-7-nitro-1,4-benzoxazine
    参考文献:
    名称:
    Novel Series of Potent, Nonsteroidal, Selective Androgen Receptor Modulators Based on 7H-[1,4]Oxazino[3,2-g]quinolin-7-ones
    摘要:
    Recent interest in orally available androgens has fueled the search for new androgens for use in hormone replacement therapy and as anabolic agents. In pursuit of this, we have discovered a series of novel androgen receptor modulators derived from 7H-[1,4]oxazino[3,2-g]quinolin-7-ones. These compounds were synthesized and evaluated in competitive binding assays and an androgen receptor transcriptional activation assay. A number of compounds from the series demonstrated single-digit nanomolar agonist activity in vitro. In addition, lead compound (R)-16e was orally active in established rodent models that measure androgenic and anabolic properties of these agents. In this assay, (R)-16e demonstrated full efficacy in muscle and only partially stimulated the prostate at 100 mg/kg. These data suggest that these compounds may be utilized as selective androgen receptor modulators or SARMs. This series represents a novel class of compounds for use in androgen replacement therapy.
    DOI:
    10.1021/jm061329j
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文献信息

  • Androgen receptor modulator compounds and methods
    申请人:Ligand Pharmaceuticals, Inc.
    公开号:US06462038B1
    公开(公告)日:2002-10-08
    Compounds, pharmaceutical compositions, and methods for modulating processes mediated by steroid receptors. In particular, preparation and methods of use of non-steroidal compounds and compositions that are agonists, partial agonists, and antagonists for the androgen receptor (AR) are described. Further, described are the methods of making and use of critical intermediates including a stereoselective synthetic route to intermediates for the AR modulators.
    化合物、药物组合物和调节类固醇受体介导过程的方法。具体描述了非类固醇化合物和组合物的制备和使用方法,这些化合物和组合物是雄激素受体(AR)的激动剂、部分激动剂和拮抗剂。此外,还描述了制备和使用关键中间体的方法,包括用于AR调节剂的立体选择性合成路线。
  • [EN] ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS<br/>[FR] COMPOSES DE MODULATION DU RECEPTEUR ANDROGENE ET PROCEDES D'UTILISATION
    申请人:LIGAND PHARM INC
    公开号:WO2001016139A1
    公开(公告)日:2001-03-08
    Compounds, pharmaceutical compositions, and methods for modulating processes mediated by steroid receptors. In particular, preparation and methods of use of non-steroidal compounds and compositions that are agonists, partial agonists, and antagonists for the androgen receptor (AR) are described. Further, described are the methods of making and use of critical intermediates including a stereoselective synthetic route to intermediates for the AR modulators.
    化合物、药物组合物和调节类固醇受体介导过程的方法。特别地,描述了非类固醇化合物和组合物的制备和使用方法,这些化合物和组合物是雄激素受体(AR)的激动剂、部分激动剂和拮抗剂。此外,还描述了制备和使用关键中间体的方法,包括用于AR调节剂的立体选择性合成路线的中间体。
  • HETEROCYCLIC COMPOUND
    申请人:TAKEDA PHARMACEUTICAL COMPANY LIMITED
    公开号:US20160229814A1
    公开(公告)日:2016-08-11
    The present invention provides a heterocyclic compound having an RORγt inhibitory action. The present invention relates to a compound represented by the formula (I): wherein Ar is a the partial structure (1) to the partial structure (5), Q is a bivalent group selected from the group consisting of (Ia)-(If), and B is a ring optionally having substituent(s), or a salt thereof.
    本发明提供了一种具有RORγt抑制作用的杂环化合物。本发明涉及一种由式(I)表示的化合物:其中Ar是部分结构(1)到部分结构(5),Q是从(Ia)-(If)组成的双价基团,B是一个环,可以具有取代基,或其盐。
  • EP2975031
    申请人:——
    公开号:——
    公开(公告)日:——
  • Heteroaromatic analogs of the .alpha.2-adrenoreceptor partial agonist clonidine
    作者:Christopher B. Chapleo、Richard C. M. Butler、David C. England、Peter L. Myers、Alan G. Roach、Colin F. C. Smith、Michael R. Stillings、Ian F. Tulloch
    DOI:10.1021/jm00127a037
    日期:1989.7
    A 1,4-dioxane analogue (1) of the alpha 2-adrenoreceptor partial agonist clonidine (2) has previously been shown to possess an interesting but complex pharmacological profile. In this study, from a series of other heterocyclic analogues of clonidine, the 1,4-oxazines 6 and 12 were found to resemble 1 in that they are partial alpha 2-agonists in the periphery and are excluded from the central nervous system. However, when given directly into the brain, they behave as pure alpha 2-antagonists.
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