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1H-萘并[2,1-b][1,4]恶嗪-2(3H)-酮 | 14847-35-9

中文名称
1H-萘并[2,1-b][1,4]恶嗪-2(3H)-酮
中文别名
——
英文名称
1H-naphtho[2,1-b][1,4]oxazin-2(3H)-one
英文别名
1h-Naphth[2,1-b][1,4]oxazin-2(3h)-one;1H-benzo[f][1,4]benzoxazin-2-one
1H-萘并[2,1-b][1,4]恶嗪-2(3H)-酮化学式
CAS
14847-35-9
化学式
C12H9NO2
mdl
——
分子量
199.209
InChiKey
PWEJJSREWZMHGC-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

  • 沸点:
    443.0±34.0 °C(Predicted)
  • 密度:
    1.293±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    2.1
  • 重原子数:
    15
  • 可旋转键数:
    0
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.08
  • 拓扑面积:
    38.3
  • 氢给体数:
    1
  • 氢受体数:
    2

SDS

SDS:f2968a6bf4edbbfed7d093c82927732e
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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
  • 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

  • Nitrogen-containing fused ring compounds and use thereof
    申请人:Hirata Kazuyuki
    公开号:US20070010670A1
    公开(公告)日:2007-01-11
    A URAT1 activity inhibitor containing a nitrogen-containing fused ring compound represented by the following formula [1]: wherein each symbol is as defined in the description. The present invention is useful for the prophylaxis or treatment of pathology showing involvement of uric acid, such as hyperuricemia, gouty tophus, acute gouty arthritis, chronic gouty arthritis, gouty kidney, urolithiasis, renal function disorder, coronary artery disease, ischemic heart disease and the like.
    一种包含氮含有融合环化合物的URAT1活性抑制剂,其化学式如下所示[1]: 其中每个符号如描述中所定义。本发明对于预防或治疗显示尿酸参与的病理学,如高尿酸血症、痛风石、急性痛风性关节炎、慢性痛风性关节炎、痛风性肾脏、尿路结石、肾功能障碍、冠状动脉疾病、缺血性心脏病等方面具有用处。
  • Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds
    申请人:Miki Kazuki
    公开号:US20080305169A1
    公开(公告)日:2008-12-11
    [Problems] The present invention provides pharmaceutical composition which is effective for the prophylaxis or treatment of pathology showing involvement of uric acid (hyperuricemia, gouty tophus, acute gout arthritis, chronic gout arthritis, gouty kidney, urolithiasis, renal function disorder, coronary arterial disease, ischemic heart disease and the like) and the like, and is superior in the time-course stability and dissolution property (disintegration property). [Solving Means] The pharmaceutical composition of the present invention is a pharmaceutical composition comprising a nitrogen-containing fused ring compound represented by the following formula [1] or a pharmaceutically acceptable salt thereof, and one or more pharmaceutically acceptable additives, wherein the nitrogen-containing fused ring compound or a pharmaceutically acceptable salt thereof is not in contact with a basic additive: wherein each symbol is as described in the specification.
    本发明提供了一种药物组合物,用于预防或治疗涉及尿酸的病理(高尿酸血症、痛风石、急性痛风性关节炎、慢性痛风性关节炎、痛风性肾脏、尿路结石、肾功能障碍、冠状动脉疾病、缺血性心脏病等),并且在时间稳定性和溶解性(分解性)方面具有优越性。 【解决手段】本发明的药物组合物是一种药物组合物,包括下式【1】所表示的含氮融合环化合物或其药学上可接受的盐,以及一种或多种药学上可接受的添加剂,其中所述的含氮融合环化合物或其药学上可接受的盐与碱性添加剂不接触: 其中每个符号如说明书中所述。
  • Production Method of Nitrogen-Containing Fused Ring Compounds
    申请人:Hirata Kazuyuki
    公开号:US20080064871A1
    公开(公告)日:2008-03-13
    [Problems] The present invention provides a superior production method and a superior purification method of compounds effective for the treatment or prophylaxis of pathology showing involvement of uric acid, such as hyperuricemia, gouty tophus, acute gouty arthritis, chronic gouty arthritis, gouty kidney, urolithiasis, renal function disorder, coronary artery disease, ischemic heart disease and the like. [Means] A compound represented by the following formula [2] or a pharmaceutically acceptable salt thereof can be produced by reacting a compound represented by the following formula [3] or a salt thereof with a compound represented by the following formula [4], a salt thereof or a reactive derivative thereof. Moreover, crystallization of a compound represented by the formula [2] can be performed with industrially superior workability, and high quality crystals of a compound represented by the formula [2] can be obtained. wherein each symbol is as defined in the description.
    本发明提供了一种优越的化合物生产方法和优越的纯化方法,用于治疗或预防涉及尿酸的病理学,如高尿酸血症、痛风石、急性痛风性关节炎、慢性痛风性关节炎、痛风性肾脏、尿路结石、肾功能障碍、冠状动脉疾病、缺血性心脏病等。 [手段] 通过将以下式[3]所代表的化合物或其盐与以下式[4]所代表的化合物、其盐或其反应衍生物反应,可以制备以下式[2]所代表的化合物或其药用可接受的盐。此外,可以以工业上优越的可操作性进行以下式[2]所代表的化合物的结晶,并且可以获得以下式[2]所代表的化合物的高质量晶体。 其中每个符号如描述中所定义。
  • Efficient synthesis of benzene-fused 6/7-membered amides via Xphos Pd G2 catalyzed intramolecular C–N bond formation
    作者:Zhou Xu、Ke Li、Rongliang Zhai、Ting Liang、Xiaodie Gui、Rongli Zhang
    DOI:10.1039/c7ra09160e
    日期:——
    6/7-membered amides via intramolecular amidation of aryl chlorides catalyzed by a Buchwald–Hartwig second generation Pd catalyst (Xphos Pd G2) has been successfully developed. This catalyst system allows the primary amides which have only modest nucleophilicity to be coupled successfully even with electron rich aryl chlorides in short reaction time. The intramolecular amidation reaction also has good
    对苯稠6/7元酰胺一种有效的方法通过由一个布赫瓦尔德-哈特维希第二代催化剂的Pd(钯XPHOS G2)催化的芳基氯的分子内酰胺化已研制成功。该催化剂体系使得仅具有适度亲核性的伯酰胺即使在短的反应时间内也能与富电子的芳基氯化物成功地偶联。分子内酰胺化反应还具有良好的化学选择性和优异的官能团相容性。
  • Naphtho thiazine (or oxaline) derivatives and preparations thereof
    申请人:Tanabe Seiyaku Co., Ltd.
    公开号:US05246929A1
    公开(公告)日:1993-09-21
    Thiazine (or oxazine) derivatives of the formula [I]: ##STR1## wherein R.sup.1 and R.sup.2 are both H or form a naphthalene ring together with the benzene ring; R.sup.3 and R.sup.4 are both H, or one of them is halogen and another is H; X is S or O; R.sup.5 and R.sup.6 are each i) H, ii) lower alkyl, iii) cycloalkyl, iv) substituted phenyl, v) naphthyl, vi) lower alkyl which is substituted by substituted or unsubstituted phenyl, or vii) S-containing heterocyclic group; one of Z.sup.1 and Z.sup.2 is O and another is H.sub.2 ; A is lower alkylene; R.sup.7 and R.sup.8 are each i) H, ii) lower alkyl, iii) lower alkenyl, iv) lower alkynyl, or v) lower alkyl which is substituted by substituted or unsubstituted phenyl, or both form together N-containing heterocyclic group; provided that when both of R.sup.1 and R.sup.2 are H, Z.sup.2 is O and either one of R.sup.5 and R.sup.6 is substituted phenyl, naphthyl or S-containing heterocyclic group, or their salts, which have calcium antagonistic activity within the cerebral tissues and are useful for prophylaxis and treatment of ischemic encephalopathia and/or cerebral neurocyte dyscrasia, and process for preparing said compounds.
    吡嗪(或噁嗪)衍生物的化学式[I]:其中R.sup.1和R.sup.2均为H或者与苯环一起形成一个萘环;R.sup.3和R.sup.4均为H,或其中一个为卤素,另一个为H;X为S或O;R.sup.5和R.sup.6分别为i)H,ii)较低烷基,iii)环烷基,iv)取代苯基,v)萘基,vi)受取代或未取代苯基取代的较低烷基,或者vii)含S的杂环基;Z.sup.1和Z.sup.2中的一个为O,另一个为H.sub.2;A为较低烷基;R.sup.7和R.sup.8分别为i)H,ii)较低烷基,iii)较低烯基,iv)较低炔基,或v)受取代或未取代苯基取代的较低烷基,或者两者一起形成含N的杂环基;但当R.sup.1和R.sup.2均为H时,Z.sup.2为O,且R.sup.5和R.sup.6中的任一者为取代苯基、萘基或含S的杂环基时,或它们的盐,具有对大脑组织内钙拮抗活性,并且适用于缺血性脑病和/或脑神经细胞异常的预防和治疗的化合物的制备方法。
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