76568-02-0

• 常用中文名：氟司喹南
• 常用英文名：flosequinan
• CAS号：76568-02-0
• 分子式：C₁₁H₁₀FNO₂S
• 分子量：239.27
• 相关类别： 原料药 循环系统用药 抗高血压病药
• 发布时间：2018-06-26 19:54:07
• 更新时间：2024-01-09 18:02:18
• Flosequinan是一种平衡的血管舒张剂。灯盏花素不仅能显著降低全身血管阻力,还能显著降低左心室后负荷的搏动成分、特征阻抗和动脉波反射,可用于急性心力衰竭的研究[1]。

名称

• 中文名: 氟司喹南
• 英文名: 7-fluoro-1-methyl-3-methylsulfinylquinolin-4-one
• 中文别名: 7-氟-1-甲基-3-(甲基亚磺酰基)-4(1H)喹诺酮
• 英文别名: 7-fluoro-1-methyl-3-methylsulphinyl-4-quinolone; Manoplax; FLOSEQUINAN; 7-Fluoro-1-methyl-3-(methylsulfinyl)quinolin-4(1H)-one; 7-fluoro-1-methyl-3-methylsulfinyl-4-quinolone; [7-Fluoro-1-methyl-3-(methylsulfinyl)-4(1H)-quinolone]; 4(1H)-Quinolinone,7-fluoro-1-methyl-3-(methylsulfinyl); Flosequinan (USAN/INN)

物化性质

• 密度: 1.44g/cm3
• 沸点: 423.1ºC at 760 mmHg
• 熔点: 226-228°
• 分子式: C₁₁H₁₀FNO₂S
• 分子量: 239.27
• 闪点: 209.7ºC
• 精确质量: 239.04200
• PSA: 58.28000
• LogP: 2.28070
• 折射率: 1.654
• 分子结构:

  1、 摩尔折射率：60.51

  2、 摩尔体积（cm³/mol）：165.0

  3、 等张比容（90.2K）：468.3

  4、 表面张力（dyne/cm）：64.7

  5、 极化率（10-24cm3）：23.99

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.1

  2.氢键供体数量:0

  3.氢键受体数量:5

  4.可旋转化学键数量:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积56.6

  7.重原子数量:16

  8.表面电荷:0

  9.复杂度:369

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:1

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

生物活性

• 描述: Flosequinan是一种平衡的血管舒张剂。灯盏花素不仅能显著降低全身血管阻力,还能显著降低左心室后负荷的搏动成分、特征阻抗和动脉波反射,可用于急性心力衰竭的研究[1]。
• 相关类别:
  研究领域 >> 心血管疾病
  信号通路 >> 其他 >> 其他
• 参考文献:

  [1]. Yano M, et al. Effects of balanced vasodilator, flosequinan, on aortic impedance in failing heart. J Cardiovasc Pharmacol. 1998 Sep;32(3):466-70.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : VC8292500 CHEMICAL NAME : 4(1H)-Quinolinone, 7-fluoro-1-methyl-3-(methylsulfinyl)-, (+-)- CAS REGISTRY NUMBER : 76568-02-0 LAST UPDATED : 199612 DATA ITEMS CITED : 14 MOLECULAR FORMULA : C11-H10-F-N-O2-S MOLECULAR WEIGHT : 239.28 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 500 mg/kg TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - lacrimation Behavioral - somnolence (general depressed activity) Skin and Appendages - hair REFERENCE : KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 27,2047,1993 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 500 mg/kg TOXIC EFFECTS : Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Gastrointestinal - changes in structure or function of salivary glands REFERENCE : KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 27,2047,1993 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 120 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Gastrointestinal - changes in structure or function of salivary glands REFERENCE : KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 27,2047,1993 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 400 mg/kg TOXIC EFFECTS : Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Gastrointestinal - changes in structure or function of salivary glands REFERENCE : KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 27,2047,1993 TYPE OF TEST : LD - Lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Mammal - dog DOSE/DURATION : >250 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Gastrointestinal - nausea or vomiting REFERENCE : KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 27,2047,1993 TYPE OF TEST : LD - Lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Primate - monkey DOSE/DURATION : >1200 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Gastrointestinal - changes in structure or function of salivary glands Gastrointestinal - nausea or vomiting REFERENCE : KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 27,2047,1993 ** OTHER MULTIPLE DOSE TOXICITY DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1260 mg/kg/4W-I TOXIC EFFECTS : Liver - changes in liver weight Kidney, Ureter, Bladder - urine volume increased Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases REFERENCE : KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 27,2047,1993 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 4095 mg/kg/26W-I TOXIC EFFECTS : Liver - fatty liver degeneration Nutritional and Gross Metabolic - changes in sodium Related to Chronic Data - changes in testicular weight REFERENCE : KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 27,2047,1993 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 18200 mg/kg/52W-I TOXIC EFFECTS : Gastrointestinal - changes in structure or function of salivary glands Blood - normocytic anemia Biochemical - Metabolism (Intermediary) - other proteins REFERENCE : KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 27,2047,1993 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Primate - monkey DOSE/DURATION : 2800 mg/kg/4W-I TOXIC EFFECTS : Liver - changes in liver weight Endocrine - changes in adrenal weight Nutritional and Gross Metabolic - weight loss or decreased weight gain REFERENCE : KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 27,2047,1993 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Primate - monkey DOSE/DURATION : 18200 mg/kg/26W-I TOXIC EFFECTS : Liver - fatty liver degeneration Kidney, Ureter, Bladder - changes in bladder weight Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases REFERENCE : KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 27,2047,1993 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Primate - monkey DOSE/DURATION : 8190 mg/kg/52W-I TOXIC EFFECTS : Cardiac - EKG changes not diagnostic of specified effects Liver - fatty liver degeneration Biochemical - Metabolism (Intermediary) - other proteins REFERENCE : KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 27,2047,1993 ** REPRODUCTIVE DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 1100 mg/kg SEX/DURATION : female 7-17 day(s) after conception TOXIC EFFECTS : Reproductive - Maternal Effects - other effects Reproductive - Specific Developmental Abnormalities - musculoskeletal system REFERENCE : KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 27,2047,1993 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 2200 mg/kg SEX/DURATION : female 17-21 day(s) after conception lactating female 21 day(s) post-birth TOXIC EFFECTS : Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4 per # born alive) Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain) REFERENCE : KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 27,2047,1993

安全

• 海关编码: 2933499090

合成路线

154639-75-5 ~% 76568-02-0

文献：US5011931 A1, ;

77-78-1 76561-14-3 ~% 76568-02-0

文献：Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , # 4 p. 387 - 392

122-51-0 154639-75-5 ~80% 76568-02-0

文献：Birch, Alan M.; Davies, Roy V.; Maclean, Lachlan; Robinson, Keith Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1994 , # 4 p. 387 - 392

321-50-6 ~% 76568-02-0

文献：Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , # 4 p. 387 - 392

76561-13-2 ~% 76568-02-0

文献：Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , # 4 p. 387 - 392

2252-51-9 ~% 76568-02-0

文献：Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , # 4 p. 387 - 392

128992-62-1 ~% 76568-02-0

文献：Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , # 4 p. 387 - 392

97927-92-9 ~% 76568-02-0

文献：Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , # 4 p. 387 - 392

上下游产品

上游产品  8
154639-75-5 77-78-1 76561-14-3 122-51-0
321-50-6 2252-51-9 128992-62-1 97927-92-9
下游产品  0

海关

海关编码	2933499090
中文概述	2933499090. 其他含喹琳或异喹啉环系的化合物〔但未进一步稠合的〕. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%