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2-Aethyl-5-methoxy-6,7-dichlor-1-indanon | 54196-88-2

中文名称
——
中文别名
——
英文名称
2-Aethyl-5-methoxy-6,7-dichlor-1-indanon
英文别名
2-Ethyl-5-methoxy-6,7-dichlor-1-indanon;2-Ethyl-6,7-dichlor-5-methoxy-1-indanon;6,7-dichloro-2-ethyl-5-methoxy-2,3-dihydro-1H-inden-1-one;2-ethyl-5-methoxy-6,7-dichloro-1-indanone;6,7-dichloro-2-ethyl-5-methoxy-2,3-dihydroinden-1-one
2-Aethyl-5-methoxy-6,7-dichlor-1-indanon化学式
CAS
54196-88-2
化学式
C12H12Cl2O2
mdl
——
分子量
259.132
InChiKey
LPSMTWMUVWKYJG-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):
    3.8
  • 重原子数:
    16
  • 可旋转键数:
    2
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.42
  • 拓扑面积:
    26.3
  • 氢给体数:
    0
  • 氢受体数:
    2

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

  • 作为反应物:
    参考文献:
    名称:
    (1-Oxo-7,8-disubstituted-1,2,3,4-tetrahydro-6-naphthyloxy)- and
    摘要:
    "(1-Oxo-7,8-二取代-1,2,3,4-四氢-6-萘氧基)-和(3,4-二取代-5-氧代-6,7,8,9-四氢-5H-苯并环庚烯-2-氧基)乙酸,它们的羧酸盐以及其酰胺和5-四唑衍生物作为利尿和盐利尿剂具有活性,同时还具有尿酸排泄活性。"
    公开号:
    US04003927A1
  • 作为产物:
    描述:
    2,3-二氯茴香醚三氯化铝硫酸乙酸酐 作用下, 以 二氯甲烷 为溶剂, 反应 47.0h, 生成 2-Aethyl-5-methoxy-6,7-dichlor-1-indanon
    参考文献:
    名称:
    Agents for the treatment of brain edema. 2. [(2,3,9,9a-Tetrahydro-3-oxo-9a-substituted-1H-fluoren-7-yl)oxy]alkanoic acids and some of their analogs
    摘要:
    Our initial paper discussed brain edema resulting from traumatic head injury and the need for specific and effective agents to treat the disorder and disclosed a novel approach for the discovery of a drug of this kind. The current study describes the synthesis of a series of [(2,3,9,9a-tetrahydro-3-oxo-9a-substituted-1H-fluoren-7-yl)oxy]alk anoic acids and their analogues. These compounds were evaluated in an in vitro cerebrocortical tissue slice assay for their relative potencies in inhibiting K+ + HCO3- induced swelling. Structural modification at a number of sites in the "lead" compound revealed that significant biological activity was inherent only within a very narrow range of structural types. The observation that nearly all the biological activity resided in one of the two enantiomers demonstrated the marked stereospecificity of the most active compounds. One of the most potent compounds, (R)-(+)-[(5,6-dichloro-2,3,9,9a-tetrahydro-3-oxo-9a-propyl-1H-fluoren -7-yl) oxy]acetic acid ((+)-5c), exhibited a dose-response relationship in the in vivo acceleration/deceleration brain edema assay, and the data from the two highest doses were statistically significant. Electron microscopic examination demonstrated that the perivascular astroglial swelling that arises from this procedure is abolished in the animals treated with (+)-5c. This compound is currently being evaluated for its clinical efficacy and safety in the treatment of traumatic head injury.
    DOI:
    10.1021/jm00155a038
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文献信息

  • [(5,6,9a-substituted-3-oxo-1,2,9,9a-tet
    申请人:Merck & Co., Inc.
    公开号:US04356313A1
    公开(公告)日:1982-10-26
    The invention relates to novel [(5,6,9a-substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]alkanoi c and cycloalkanoic acids and their analogs, esters, salts and derivatives. These compounds are synthesized by methods selected from a number of synthetic routes depending on the particular structure, choice of intermediate or preferred reaction sequence. The compounds are useful in the treatment and prevention of injury to the brain and spinal chord due to accidents, ischemic stroke and hydrocephalus; compositions for such uses are also disclosed.
    该发明涉及新型[(5,6,9a-取代-3-氧代-1,2,9,9a-四氢-3H-芴-7-基)氧基]烷酸和环烷酸以及它们的类似物、酯、盐和衍生物。这些化合物通过从多种合成途径中选择的方法合成,具体取决于特定结构、中间体选择或首选反应顺序。这些化合物在治疗和预防由事故、缺血性中风和脑积水导致的大脑和脊髓损伤方面具有用途;还公开了用于这些用途的组合物。
  • [(5,6,9a-Substituted-3-oxo-1,2,9,9a-tetrahy
    申请人:Merck & Co., Inc.
    公开号:US04317922A1
    公开(公告)日:1982-03-02
    The invention relates to novel [(5,6,9a-substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)-oxy]alkano ic and cycloalkanoic acids and their analogs, esters, salts and derivatives. These compounds are synthesized by methods selected from a number of synthetic routes depending on the particular structure, choice of intermediate or preferred reaction sequence. The compounds are useful in the treatment and prevention of injury to the brain and spinal chord due to accidents, ischemic stroke and hydrocephalus; compositions for such uses are also disclosed.
    该发明涉及新型[(5,6,9a-取代-3-氧代-1,2,9,9a-四氢-3H-芴-7-基)-氧基]烷酸和环烷酸及其类似物、酯、盐和衍生物。这些化合物通过从多种合成路线中选择的方法合成,具体取决于特定结构、中间体的选择或首选反应顺序。这些化合物在治疗和预防由事故、缺血性中风和脑积水引起的脑部和脊髓损伤方面具有用途;还公开了用于这些用途的组合物。
  • [5,6,9A-Substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]alkanoi
    申请人:Merck & Co., Inc.
    公开号:US04356314A1
    公开(公告)日:1982-10-26
    The invention relates to novel [(5,6,9a-substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]alkanoi c and cycloalkanoic acids, and their analogs, esters, salts and derivatives. These compounds are synthesized by methods selected from a number of synthetic routes depending on the particular structure, choice of intermediate or preferred reaction sequence. The compounds are useful in the treatment and prevention of injury to the brain and spinal chord due to accidents, ischemic stroke and hydrocephalus; compositions for such uses are also disclosed.
    该发明涉及新型[(5,6,9a-取代-3-氧代-1,2,9,9a-四氢-3H-芴-7-基)氧基]烷酸和环烷酸,以及它们的类似物、酯、盐和衍生物。这些化合物通过从多种合成途径中选择的方法合成,具体取决于特定结构、中间体的选择或首选反应顺序。这些化合物在治疗和预防因事故、缺血性中风和脑积水导致的脑部和脊髓损伤方面具有用途;也公开了用于此类用途的组合物。
  • Pharmaceutical compositions and method of treatment employing
    申请人:Merck & Co., Inc.
    公开号:US03966966A1
    公开(公告)日:1976-06-29
    [1,3-Dioxo-2-substituted and 2,2-disubstituted-indanyloxy(or thio)]alkanoic acids and their salts, esters and amides are disclosed. The products display a dual pharmaceutical utility in that they exhibit diuretic, saluretic and uricosuric activity. The acid products are prepared by treating a (2- or 2,2-di)substituted-6-hydroxy-(or mercapto)-1,3-indanedione with a haloalkanoic acid or ester thereof and if the ester is employed hydrolyzing the ester.
    披露了1,3-二氧化-2-取代和2,2-二取代-茚氧(或硫)烷酸及其盐、酯和酰胺。这些产品在药用上具有双重作用,因为它们表现出利尿、排盐和利尿酸排泄活性。这些酸类产品是通过将(2-或2,2-二)取代-6-羟基(或巯基)-1,3-茚二酮与卤代烷酸或其酯反应制备的,如果使用酯,则水解酯。
  • (Acylaryloxy)acetic acid diuretics. 5. [(2-Alkyl- and 2,2-disubstituted-1,3-dioxo-5-indanyl)oxy]acetic acids
    作者:O. W. Woltersdorf、S. J. DeSolms、G. E. Stokker、E. J. Cragoe
    DOI:10.1021/jm00373a005
    日期:1984.7
    Investigation of the chemistry of the potent uricosuric diuretic indacrinone (MK-196) prompted the synthesis of a series of 3-oxo derivatives, i.e., the indan-1,3-diones. In general, both pharmacological parameters (uricosuria and diuresis) were significantly less pronounced with the 1,3-diones than with the parent 1-oxo compounds.
    对强尿酸利尿剂茚三酮(MK-196)的化学研究促使合成了一系列3-氧代衍生物,即茚满-1,3-二酮。通常,与母体1-氧代化合物相比,1,3-二酮的两种药理学参数(尿尿尿和利尿)的意义均较差。
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(S)-7,7-双[(4S)-(苯基)恶唑-2-基)]-2,2,3,3-四氢-1,1-螺双茚满 (R)-7,7-双[(4S)-(苯基)恶唑-2-基)]-2,2,3,3-四氢-1,1-螺双茚满 (4S,5R)-3,3a,8,8a-四氢茚并[1,2-d]-1,2,3-氧杂噻唑-2,2-二氧化物-3-羧酸叔丁酯 (3aS,8aR)-2-(吡啶-2-基)-8,8a-二氢-3aH-茚并[1,2-d]恶唑 (3aS,3''aS,8aR,8''aR)-2,2''-环戊二烯双[3a,8a-二氢-8H-茚并[1,2-d]恶唑] (1α,1'R,4β)-4-甲氧基-5''-甲基-6'-[5-(1-丙炔基-1)-3-吡啶基]双螺[环己烷-1,2'-[2H]indene 齐洛那平 鼠完 麝香 风铃醇 颜料黄138 雷美替胺杂质14 雷美替胺杂质 雷美替胺杂质 雷美替胺杂质 雷美替胺杂质 雷美替胺杂质 雷美替胺 雷沙吉兰杂质8 雷沙吉兰杂质5 雷沙吉兰杂质4 雷沙吉兰杂质3 雷沙吉兰杂质15 雷沙吉兰杂质12 雷沙吉兰杂质 雷沙吉兰 阿替美唑盐酸盐 铵2-(1,3-二氧代-2,3-二氢-1H-茚-2-基)-8-甲基-6-喹啉磺酸酯 金粉蕨辛 金粉蕨亭 重氮正癸烷 酸性黄3[CI47005] 酒石酸雷沙吉兰 还原茚三酮(二水) 还原茚三酮 过氧化,2,3-二氢-1H-茚-1-基1,1-二甲基乙基 表蕨素L 螺双茚满 螺[茚-2,4-哌啶]-1(3H)-酮盐酸盐 螺[茚-2,4'-哌啶]-1(3H)-酮 螺[茚-1,4-哌啶]-3(2H)-酮盐酸盐 螺[环丙烷-1,2'-茚满]-1'-酮 螺[二氢化茚-1,4'-哌啶] 螺[1H-茚-1,4-哌啶]-3(2H)-酮 螺[1H-茚-1,4-哌啶]-1,3-二羧酸, 2,3-二氢- 1,1-二甲基乙酯 螺[1,2-二氢茚-3,1'-环丙烷] 藏花茚 蕨素 Z 蕨素 D 蕨素 C