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1-乙基-3-甲基-2-硫代咪唑烷-4-酮 | 67990-13-0

中文名称
1-乙基-3-甲基-2-硫代咪唑烷-4-酮
中文别名
——
英文名称
4-Imidazolidinone, 1-ethyl-3-methyl-2-thioxo-
英文别名
1-ethyl-3-methyl-2-sulfanylideneimidazolidin-4-one
1-乙基-3-甲基-2-硫代咪唑烷-4-酮化学式
CAS
67990-13-0
化学式
C6H10N2OS
mdl
MFCD00046095
分子量
158.22
InChiKey
HJARDFLUMLJZDG-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:
    10
  • 可旋转键数:
    1
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.666
  • 拓扑面积:
    55.6
  • 氢给体数:
    0
  • 氢受体数:
    2

文献信息

  • DIHYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES
    申请人:Dasseux Jean-Louis Henri
    公开号:US20090247489A1
    公开(公告)日:2009-10-01
    The present invention relates to novel dihydroxyl compounds, compositions comprising hydroxyl compounds, and methods useful for treating and preventing a variety of diseases and conditions such as, but not limited to aging, Alzheimer's Disease, cancer, cardiovascular disease, diabetic nephropathy, diabetic retinopathy, a disorder of glucose metabolism, dyslipidemia, dyslipoproteinemia, hypertension, impotence, inflammation, insulin resistance, lipid elimination in bile, obesity, oxysterol elimination in bile, pancreatitis, Parkinson's disease, a peroxisome proliferator activated receptor-associated disorder, phospholipid elimination in bile, renal disease, septicemia, metabolic syndrome disorders (e.g., Syndrome X), thrombotic disorder. Compounds and methods of the invention can also be used to modulate C reactive protein or enhance bile production in a patient. In certain embodiments, the compounds, compositions, and methods of the invention are useful in combination therapy with other therapeutics, such as hypocholesterolemic and hypoglycemic agents.
    本发明涉及新型二羟基化合物、包含羟基化合物的组合物,以及用于治疗和预防各种疾病和病症的方法,例如但不限于老化、阿尔茨海默病、癌症、心血管疾病、糖尿病肾病、糖尿病视网膜病变、葡萄糖代谢紊乱、血脂异常、高血压、阳痿、炎症、胰腺炎、帕金森病、过氧化物酶体增殖物激活受体相关疾病、胆汁中脂质消除、肥胖症、胆汁中氧化固醇消除、肾脏疾病、败血症、代谢综合症(例如综合征X)、血栓性疾病等。本发明的化合物和方法还可用于调节C反应蛋白或增强患者的胆汁产生。在某些实施例中,本发明的化合物、组合物和方法可与其他治疗剂(如降胆固醇和降血糖药物)结合使用。
  • Ketone compounds and compositions for cholesterol management and related uses
    申请人:Dasseux Henri Jean-Louis
    公开号:US20070155704A1
    公开(公告)日:2007-07-05
    The present invention relates to novel ketone compounds, compositions comprising ketone compounds, and methods useful for treating and preventing cardiovascular diseases, dyslipidemias, dysproteinemias, and glucose metabolism disorders comprising administering a composition comprising a ketone compound. The compounds, compositions, and methods of the invention are also useful for treating and preventing Alzheimer's Disease, Syndrome X, peroxisome proliferator activated receptor-related disorders, septicemia, thrombotic disorders, obesity, pancreatitis, hypertension, renal disease, cancer, inflammation, and impotence. In certain embodiments, the compounds, compositions, and methods of the invention are useful in combination therapy with other therapeutics, such as hypocholesterolemic and hypoglycemic agents.
    本发明涉及新的酮类化合物、包含酮类化合物的组合物、以及用于治疗和预防心血管疾病、血脂异常、蛋白质异常和葡萄糖代谢紊乱的方法,包括给予含有酮类化合物的组合物。本发明的化合物、组合物和方法还可用于治疗和预防阿尔茨海默病、X综合征、过氧化物酶体增殖物激活受体相关疾病、败血症、血栓性疾病、肥胖症、胰腺炎、高血压、肾脏疾病、癌症、炎症和阳痿。在某些实施例中,本发明的化合物、组合物和方法可与其他治疗药物(如降胆固醇和降血糖药物)联合使用。
  • Cycloalkyl-Hydroxyl Compounds and Compositions for Cholesterol Management
    申请人:Dasseux Jean-Louis Henri
    公开号:US20080249166A1
    公开(公告)日:2008-10-09
    The present invention relates to novel cycloalkyl-hydroxyl compounds, compositions comprising hydroxyl compounds, and methods useful for treating and preventing a variety of diseases and conditions such as, but not limited to aging, Alzheimer's Disease, cancer, cardiovascular disease, diabetic nephropathy, diabetic retinopathy, a disorder of glucose metabolism, dyslipidemia, dyslipoproteinemia, hypertension, impotence, inflammation, insulin resistance, lipid elimination in bile, obesity, oxysterol elimination in bile, pancreatitis, Parkinson's disease, a peroxisome proliferator activated receptor-associated disorder, phospholipid elimination in bile, renal disease, septicemia, Syndrome X, thrombotic disorder. Compounds and methods of the invention can also be used to modulate C reactive protein or enhance bile production in a patient. In certain embodiments, the compounds, compositions, and methods of the invention are useful in combination therapy with other therapeutics, such as hypocholesterolemic and hypoglycemic agents.
    本发明涉及新型环烷基-羟基化合物、包含羟基化合物的组合物以及用于治疗和预防各种疾病和病症的方法,例如但不限于衰老、阿尔茨海默病、癌症、心血管疾病、糖尿病肾病、糖尿病视网膜病变、葡萄糖代谢紊乱、血脂异常、高血压、阳痿、炎症、胰腺炎、帕金森病、过氧化物酶体增殖物激活受体相关疾病、胆汁中脂质消除、肥胖症、胆汁中氧化固醇消除、肾脏疾病、败血症、X综合症、血栓性疾病。本发明的化合物和方法还可用于调节C反应蛋白或增强患者的胆汁产生。在某些实施例中,本发明的化合物、组合物和方法可与其他治疗剂,如降胆固醇和降血糖药物一起使用。
  • KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES
    申请人:Dasseux Henri Jean-Louis
    公开号:US20070149615A9
    公开(公告)日:2007-06-28
    The present invention relates to novel ketone compounds, compositions comprising ketone compounds, and methods useful for treating and preventing cardiovascular diseases, dyslipidemias, dysproteinemias, and glucose metabolism disorders comprising administering a composition comprising a ketone compound. The compounds, compositions, and methods of the invention are also useful for treating and preventing Alzheimer's Disease, Syndrome X, peroxisome proliferator activated receptor-related disorders, septicemia, thrombotic disorders, obesity, pancreatitis, hypertension, renal disease, cancer, inflammation, and impotence. In certain embodiments, the compounds, compositions, and methods of the invention are useful in combination therapy with other therapeutics, such as hypocholesterolemic and hypoglycemic agents.
    本发明涉及新型酮类化合物、包含酮类化合物的组合物以及用于治疗和预防心血管疾病、脂质代谢异常、蛋白质代谢异常和葡萄糖代谢紊乱的方法,其中包括给予含有酮类化合物的组合物。本发明的化合物、组合物和方法还可用于治疗和预防阿尔茨海默病、X综合征、过氧化物酶体增殖物激活受体相关疾病、败血症、血栓性疾病、肥胖症、胰腺炎、高血压、肾脏疾病、癌症、炎症和阳痿。在某些实施例中,本发明的化合物、组合物和方法可与其他治疗剂(如降胆固醇和降血糖药物)联合治疗。
  • HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES
    申请人:Dasseux Henri Jean-Louis
    公开号:US20070179120A1
    公开(公告)日:2007-08-02
    The present invention relates to novel hydroxyl compounds, compositions comprising hydroxyl compounds, and methods useful for treating and preventing a variety of diseases and conditions such as, but not limited to aging, Alzheimer's Disease, cancer, cardiovascular disease, diabetic nephropathy, diabetic retinopathy, a disorder of glucose metabolism, dyslipidemia, dyslipoproteinemia, hypertension, impotence, inflammation, insulin resistance, lipid elimination in bile, obesity, oxysterol elimination in bile, pancreatitis, pancreatitius, Parkinson's disease, a peroxisome proliferator activated receptor-associated disorder, phospholipid elimination in bile, renal disease, septicemia, metabolic syndrome disorders (e.g., Syndrome X), thrombotic disorder. Compounds and methods of the invention can also be used to modulate C reactive protein or enhance bile production in a patient. In certain embodiments, the compounds, compositions, and methods of the invention are useful in combination therapy with other therapeutics, such as hypocholesterolemic and hypoglycemic agents.
    本发明涉及新型羟基化合物、包含羟基化合物的组合物以及用于治疗和预防各种疾病和病症的方法,例如但不限于衰老、阿尔茨海默病、癌症、心血管疾病、糖尿病肾病、糖尿病视网膜病变、葡萄糖代谢障碍、脂质代谢异常、高血压、阳痿、炎症、胰岛素抵抗、胆汁中脂质的排泄、肥胖症、胆汁中氧化固醇的排泄、胰腺炎、帕金森病、过氧化物酶体增殖物激活受体相关疾病、胆汁中磷脂的排泄、肾脏疾病、败血症、代谢综合征(例如X综合征)、血栓性疾病。本发明的化合物和方法还可用于调节C反应蛋白或增强患者的胆汁产生。在某些实施例中,本发明的化合物、组合物和方法可与其他治疗药物(例如降胆固醇和降血糖药物)联合使用。
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
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ir
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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同类化合物

(甲基3-(二甲基氨基)-2-苯基-2H-azirene-2-羧酸乙酯) (±)-盐酸氯吡格雷 (±)-丙酰肉碱氯化物 (d(CH2)51,Tyr(Me)2,Arg8)-血管加压素 (S)-(+)-α-氨基-4-羧基-2-甲基苯乙酸 (S)-阿拉考特盐酸盐 (S)-赖诺普利-d5钠 (S)-2-氨基-5-氧代己酸,氢溴酸盐 (S)-2-[3-[(1R,2R)-2-(二丙基氨基)环己基]硫脲基]-N-异丙基-3,3-二甲基丁酰胺 (S)-1-(4-氨基氧基乙酰胺基苄基)乙二胺四乙酸 (S)-1-[N-[3-苯基-1-[(苯基甲氧基)羰基]丙基]-L-丙氨酰基]-L-脯氨酸 (R)-乙基N-甲酰基-N-(1-苯乙基)甘氨酸 (R)-丙酰肉碱-d3氯化物 (R)-4-N-Cbz-哌嗪-2-甲酸甲酯 (R)-3-氨基-2-苄基丙酸盐酸盐 (R)-1-(3-溴-2-甲基-1-氧丙基)-L-脯氨酸 (N-[(苄氧基)羰基]丙氨酰-N〜5〜-(diaminomethylidene)鸟氨酸) (6-氯-2-吲哚基甲基)乙酰氨基丙二酸二乙酯 (4R)-N-亚硝基噻唑烷-4-羧酸 (3R)-1-噻-4-氮杂螺[4.4]壬烷-3-羧酸 (3-硝基-1H-1,2,4-三唑-1-基)乙酸乙酯 (2S,3S,5S)-2-氨基-3-羟基-1,6-二苯己烷-5-N-氨基甲酰基-L-缬氨酸 (2S,3S)-3-((S)-1-((1-(4-氟苯基)-1H-1,2,3-三唑-4-基)-甲基氨基)-1-氧-3-(噻唑-4-基)丙-2-基氨基甲酰基)-环氧乙烷-2-羧酸 (2S)-2,6-二氨基-N-[4-(5-氟-1,3-苯并噻唑-2-基)-2-甲基苯基]己酰胺二盐酸盐 (2S)-2-氨基-3-甲基-N-2-吡啶基丁酰胺 (2S)-2-氨基-3,3-二甲基-N-(苯基甲基)丁酰胺, (2S,4R)-1-((S)-2-氨基-3,3-二甲基丁酰基)-4-羟基-N-(4-(4-甲基噻唑-5-基)苄基)吡咯烷-2-甲酰胺盐酸盐 (2R,3'S)苯那普利叔丁基酯d5 (2R)-2-氨基-3,3-二甲基-N-(苯甲基)丁酰胺 (2-氯丙烯基)草酰氯 (1S,3S,5S)-2-Boc-2-氮杂双环[3.1.0]己烷-3-羧酸 (1R,4R,5S,6R)-4-氨基-2-氧杂双环[3.1.0]己烷-4,6-二羧酸 齐特巴坦 齐德巴坦钠盐 齐墩果-12-烯-28-酸,2,3-二羟基-,苯基甲基酯,(2a,3a)- 齐墩果-12-烯-28-酸,2,3-二羟基-,羧基甲基酯,(2a,3b)-(9CI) 黄酮-8-乙酸二甲氨基乙基酯 黄荧菌素 黄体生成激素释放激素 (1-5) 酰肼 黄体瑞林 麦醇溶蛋白 麦角硫因 麦芽聚糖六乙酸酯 麦根酸 麦撒奎 鹅膏氨酸 鹅膏氨酸 鸦胆子酸A甲酯 鸦胆子酸A 鸟氨酸缩合物