计算溶液所需的质量、体积或浓度。
概述
Mefentrifluconazole is a novel azole derivative and used as an agrochemical broad-spectrum antifungal agent . Mefentrifluconazole is a potent, selective and orally active fungal CYP51 ( K d = 0.5 nM) inhibitor, but shows less inhibitory activity on human aromatase ( IC 50 =0.92 μM)
In Vivo
Mefentrifluconazole undergoes extensive toxicity testing, including a full program of reproductive toxicity studies. Long term repeated dose toxicity and/or carcinogenicity studies have been conducted in rats, mice, and dogs. In each species, the highest dose level investigated gives rise to systemic toxicity . In the acute and?repeat dose toxicity studies?performed with Mefentrifluconazole. A single-dose administration to rats the LD50 is >2000?mg/kg bwt by the oral route, >5000?mg/kg bwt by the dermal route, and >5.314?mg/L by inhalation as a dust aerosol. Mefentrifluconazole is not a skin or an eye?irritant, nor is it a phototoxicant in vitro . In the acute?neurotoxicity?study in rats, Mefentrifluconazole (oral administration; 2000?mg/kg bwt; single dose) gives rise to reduce body weight gain and transient neurobehavioral effects only on the day of treatment (unsteady gait, reduced motor activity, reduces grip strength of the forelimbs and increased distance between the hind limbs in the landing foot-splay test) . In the repeated-dose toxicity studies, the liver is the target organ in each of the three species investigated. At higher dose levels in the rat (oral diets; 383/334 mg/kg/bwt/d (4000 ppm)) and the C57BL/6JRj mouse (61 mg/kg bwt/d (300 ppm)), reduces body weight gain and food consumption, alters clinical chemistry parameters, increases liver weight and is accompanied by?liver cell hypertrophy, and/or?liver cell necrosis. At low doses, increases liver weight is not associated with any histopathological alterations and is considered to be an adaptive change to treatment . MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:CYP51A 0.5 nM (Kd)
规格
别名
氟康唑
规格或纯度
≥99%
英文名称
Mefentrifluconazole
生化机理
Mefentrifluconazole 是一种新型唑类衍生物，用作农用化学品广谱抗真菌剂。Mefentrifluconazole 是一种强效、具有选择性和口服活性的真菌 CYP51（K d = 0.5 nM）抑制剂，但对人体的抑制活性较低。
储存条件
-20°C储存
运输条件
超低温运输
作用类型
抑制剂
纯度
≥99%
名称和识别符
分子类型
小分子
Isomeric SMILES
CC(CN1C=NC=N1)(C2=C(C=C(C=C2)OC3=CC=C(C=C3)Cl)C(F)(F)F)O
PubChem CID
分子量
397.78
高级数据
化学和物理性质
溶解性
DMSO : 100 mg/mL (251.40 mM; Need ultrasonic)
分子量
397.800 g/mol
XLogP3
4.000
氢键供体数Hydrogen Bond Donor Count
1
氢键受体数Hydrogen Bond Acceptor Count
7
可旋转键计数Rotatable Bond Count
5
精确质量Exact Mass
397.08 Da
单同位素质量Monoisotopic Mass
397.08 Da
拓扑极表面积Topological Polar Surface Area
60.200 Ų
重原子数Heavy Atom Count
27
形式电荷Formal Charge
0
复杂度Complexity
491.000
同位素原子数Isotope Atom Count
0
定义的原子立体中心计数Defined Atom Stereocenter Count
0
未定义的原子立体中心计数Undefined Atom Stereocenter Count
1
定义的键立体中心计数Defined Bond Stereocenter Count
0
未定义的键立体中心计数Undefined Bond Stereocenter Count
0
所有立体化学键的总数The total count of all stereochemical bonds
0
共价键合单元计数Covalently-Bonded Unit Count
1
质检证书(CoA,COO,BSE/TSE 和分析图谱)
C of A & Other Certificates(BSE/TSE, COO):
输入批号以搜索分析图谱:
技术文档和文章
溶液计算器
常见问题
本产品应如何储存？
请于?20 °C条件下保存。需冷冻保存以维持规定的有效期。
本产品如何运输？
本产品采用保温箱配冰袋运输。收货后请立即拆包，并按上述储存条件保存。
本产品的纯度是多少？
本产品的化学纯度（含量）为 ≥99%。批次的具体数值以分析证书（COA）为准。
本产品的 CAS 号、分子式和分子量是多少？
本产品的 CAS 号为 1417782-03-6，分子式为 C18H15ClF3N3O2，分子量为 397.78 g/mol。
如何获取批次专用COA？
每个订单都会随附分析证书（COA），您也可以从账户订单历史中下载。如需订购前的COA，请联系您的客户代表，或使用PDP上的"申请COA"按钮——我们将提供代表性批次的COA。
产品仅提供给经过验证的企业、机构和合格的专业人员用于研发。不适用于人类、动物、诊断或治疗。
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