3105-97-3

• 常用中文名：海恩酮
• 常用英文名：Hycanthone
• CAS号：3105-97-3
• 分子式：C₂₀H₂₄N₂O₂S
• 分子量：356.48200
• 相关类别： 信号通路 抗感染 寄生物
• 发布时间：2018-06-30 19:57:22
• 更新时间：2024-01-09 20:45:40
• Hycanthone 是一种有效的抗血吸虫药物。

名称

• 中文名: 海恩酮
• 英文名: hycanthone
• 中文别名: 1-[(2-[二乙基氨基]乙基)氨基]-4-[羟基甲基]-9h-噻吨酮
• 英文别名: lucanthonemetabolite; 1-(2-diethylaminoethylamino)-4-methylol-thioxanthen-9-one; 1-[(2-[DIETHYLAMINO]ETHYL)AMINO]-4-[HYDROXYMETHYL]-9H-THIOXANTHEN-9-ONE; ETRENOL; 1-((2-(diethylamino)ethyl)amino)-4-(hydroxymethyl)thioxanthen-9-one; hycanthon; Win 249-33; Etrenol(mesylate); 1-((2-(diethylamino)ethyl)amino)-4-(hydroxymethyl)-9h-thioxanthen-9-on; HYCANTHONE

物化性质

• 密度: 1.25g/cm3
• 沸点: 570.5ºC at 760mmHg
• 熔点: approx 143ºC
• 分子式: C₂₀H₂₄N₂O₂S
• 分子量: 356.48200
• 闪点: 298.9ºC
• 精确质量: 356.15600
• PSA: 80.81000
• LogP: 3.73370
• 折射率: 1.658
• 储存条件: 2-8℃
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:2

  3.氢键受体数量:5

  4.可旋转化学键数量:7

  5.互变异构体数量:5

  6.拓扑分子极性表面积:77.9

  7.重原子数量:25

  8.表面电荷:0

  9.复杂度:443

  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:0

  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: Hycanthone 是一种有效的抗血吸虫药物。
• 相关类别:
  信号通路 >> 抗感染 >> 寄生物
  研究领域 >> 感染
• 靶点:

  Parasite[1]

• 体外研究: 20mg/mL或更高的Hycanthone对细胞活力逐渐更不利。结果显示,与对照相比,Hycanthone浓度增加0.1至10μg/ mL,可使病毒干扰素产量逐渐降低73％[2]。
• 体内研究: 结果表明,用Hycanthone处理后,氚标记的胸苷掺入成虫敏感性蠕虫的TCA可沉淀物质中逐渐减少。在任何时候测试,未成熟的蠕虫完全不受Hycanthone的影响。用Hycanthone处理的雄性蠕虫表现出从最初的低水平掺入可能部分恢复的迹象。用Hycanthone处理的药物敏感性蠕虫掺入氚化亮氨酸在处理后的前四天被抑制40％至50％。结果显示,在Hycanthone处理后7天,两种核糖体RNA种类相对于未经处理的蠕虫减少至少80％,一些迹象表明可能积累更重的前体分子[1]。
• 细胞实验: 将适当量的Hycanthone（1至100μg）在10mL维持培养基中加入含有约3×10 7个LLC-MK2细胞单层的塑料瓶（75cm 2）中，然后在35℃下孵育24小时。倾析维持培养基，并将2mL流感病毒添加到细胞单层上，并在35℃下孵育2小时。感染的多样性约为1.0。除去接种物并向每个烧瓶中加入10mL维持培养基，然后将其在35℃下孵育24小时。倾析出上清液，以100,000g离心1小时，在4℃下用HCl-KCl缓冲液（pH2.0）透析24小时，然后在4℃下对两次磷酸盐缓冲盐水（pH7.1）透析。持续24小时。流体通过过滤器以获得无菌制剂。将样品储存在-80℃直至测定干扰素活性[2]。
• 动物实验: 用作最终宿主的雌性远交瑞士白化小鼠在感染时重18至20克。通过将剂量分成两个后腿，肌内给予Hycanthone 0.01mL / g体重，使得每只小鼠接受80mg / kg体重的游离碱。治疗通常在感染后第8周进行[1]。
• 参考文献:

  [1]. Pica Mattoccia L, et al. Effect of hycanthone administered in vivo upon the incorporation of radioactive precursors into macromolecules of Schistosoma mansoni. Mol Biochem Parasitol. 1983 Jun;8(2):99-107.

  [2]. Hahon N, et al. Action of antischistosomal drugs, hycanthone and its analog 1A-4 N-oxide, on viral interferon induction. J Toxicol Environ Health. 1980 Jul;6(4):705-12.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : XO1590000 CHEMICAL NAME : 9H-Thioxanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-(hydroxymethyl)- CAS REGISTRY NUMBER : 3105-97-3 BEILSTEIN REFERENCE NO. : 1402722 LAST UPDATED : 199612 DATA ITEMS CITED : 67 MOLECULAR FORMULA : C20-H24-N2-O2-S MOLECULAR WEIGHT : 356.52 WISWESSER LINE NOTATION : T C666 BS IVJ D1Q GM2N2&2 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 980 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 286 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 75 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1120 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 270 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 70 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intramuscular SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 253 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intramuscular SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 180 mg/kg/60D-I TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Liver - other changes Liver - tumors TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Parenteral DOSE : 50 mg/kg SEX/DURATION : female 10 day(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - other developmental abnormalities TYPE OF TEST : Sex chromosome loss and nondisjunction TYPE OF TEST : Sex chromosome loss and nondisjunction TYPE OF TEST : DNA inhibition TYPE OF TEST : Mutation test systems - not otherwise specified TYPE OF TEST : Cytogenetic analysis TYPE OF TEST : Micronucleus test TYPE OF TEST : Micronucleus test TYPE OF TEST : Specific locus test TYPE OF TEST : Specific locus test TYPE OF TEST : Cytogenetic analysis TYPE OF TEST : Micronucleus test TYPE OF TEST : Sister chromatid exchange TYPE OF TEST : Sister chromatid exchange TYPE OF TEST : Unscheduled DNA synthesis MUTATION DATA TYPE OF TEST : Cytogenetic analysis TEST SYSTEM : Rodent - rabbit Leukocyte DOSE/DURATION : 5 mg/L REFERENCE : MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 55,43,1978 *** REVIEWS *** TOXICOLOGY REVIEW EJBLAB Egyptian Journal of Bilharziasis. (National Information and Documentation Center, Al-Tahrir St., Awqaf P.O. Dokki, Cairo, Egypt) V.1- 1974- Volume(issue)/page/year: 1,181,1974

安全

• 危害码 (欧洲): T: Toxic;
• 风险声明 (欧洲): 45-46-20/21/22
• 海关编码: 2932999099

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海关编码	2932999099
中文概述	2932999099. 其他仅含氧杂原子的杂环化合物. 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
Summary	2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%