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101530-10-3生产厂家

101530-10-3价格

相关CAS号：
101530-10-3 84697-21-2
80168-44-1 1289559-76-7
137234-62-9 132489-33-9
1286730-05-9 2069200-13-9
1902957-95-2 2055038-60-1

101530-10-3

101530-10-3结构式
101530-10-3结构式

化源商城直购

中文名 拉诺康唑
英文名 Lanoconazole
中文别名 兰诺康唑
(±)-(E)-Α-[4-(2-氯苯基)-1,3-二硫戊烷-2-亚基]-1H-咪唑-1-乙腈
[4-(2-氯苯基)-1,3-亚二硫戊环-2-基]-2-咪唑-1-基-乙腈
英文别名 (2Z)-[4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene](1H-imidazol-1-yl)ethanenitrile
[4-(2-Chloro-phenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-yl-acetonitrile
(E)-[4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-1-imidazol-1-yl acetonitrile
(E)-(±)-a-[4-(2-Chlorophenyl)-1,3-dithiolan-2-ylidene]-1H-imidazole-1-acetonitrile
latoconazole
nnd-318
(+-)-(E)-[4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-1-imidazolylacetonitrile
MFCD00865590
(2Z)-[4-(2-Chlorophenyl)-1,3-dithiolan-2-ylidene](1H-imidazol-1-yl)acetonitrile
2-(1-imidazolyl)-2-[4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]acetonitrile
[4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene](1H-imidazol-1-yl)acetonitrile
2-[4-(2-Chlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-yl-acetonitrile
tjn-318
1H-Imidazole-1-acetonitrile, α-[4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-, (αZ)-
(4-(2-Chlorophenyl)-1,3-dithiolan-2-ylidene)-1-imidazolylacetonitrile
Astat
itrile
描述 Lanoconazole 是一种强效口服咪唑类抗真菌 (antifungal) 试剂,具有广谱的体内外抗真菌活性。Lanoconazole 通过抑制 sterol 14-alpha 去甲基酶,阻断真菌膜上的 ergosterol 生物合成,从而干扰 ergosterol 的生物合成。Lanoconazole 可用于皮肤真菌病和甲真菌病的研究。
相关类别
靶点

IC50: antifungal[1]
体内研究 Lanoconazole(耳用治疗；0.3%-3%；6天)剂量依赖性抑制estpa诱导的刺激性皮炎,抑制中性粒细胞趋化因子(如角质形成细胞衍生的趋化因子和巨噬细胞炎症蛋白)的产生,并抑制中性粒细胞向炎症部位的浸润[2]。与生理盐水对照组相比,兰诺唑(口服；3、10或30 mg/kg；每天一次；3周)显著抑制新生隐球菌。此外,它还显著降低了新生梭菌在雌性小鼠肺和脑中的生长[3]。动物模型：BALB/c小鼠[2]剂量：0.3%-3%剂量给药：耳部治疗结果：LCZ对TPA所致小鼠耳部肿胀有抑制作用。动物模型：4周龄C57BL/6小鼠腹腔感染LP-BM5小鼠白血病病毒[3]剂量：3、10或30mg/kg给药：口服给药结果：抑制正常和新生鼠脑炎模型小鼠的新生鼠生长。
参考文献

[1]. Shokoohi GR, et al. In Vitro Activities of Luliconazole, Lanoconazole, and Efinaconazole Compared with Those of Five Antifungal Drugs against Melanized Fungi and Relatives.Antimicrob Agents Chemother. 2017 Oct 24;61(11). pii: e00635-17.

[2]. Nakamura A, et al. Anti-inflammatory effect of lanoconazole on 12-O-tetradecanoylphorbol-13-acetate- and 2,4,6-trinitrophenyl chloride-induced skin inflammation in mice.Mycoses. 2020 Feb;63(2):189-196.

[3]. Furukawa K, et al. Lanoconazole, a new imidazole antimycotic compound, protects MAIDS mice against encephalitis caused by Cryptococcus neoformans.J Antimicrob Chemother. 2000 Sep;46(3):443-50.
密度 1.4±0.1 g/cm3
沸点 477.6±55.0 °C at 760 mmHg
熔点 141.50C
分子式 C14H10ClN3S2
分子量 319.832
闪点 242.6±31.5 °C
精确质量 319.000458
PSA 92.21000
LogP 3.38
外观性状 淡黄色晶体
蒸汽压 0.0±1.2 mmHg at 25°C
折射率 1.725
储存条件 2-8°C
分子结构

1、 摩尔折射率：88.56

2、 摩尔体积（cm3/mol）：223.0

3、 等张比容（90.2K）：619.3

4、 表面张力（dyne/cm）：59.4

5、 极化率（10-24cm3）：35.11
计算化学

1.疏水参数计算参考值（XlogP）:3.3

2.氢键供体数量:0

3.氢键受体数量:4

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积92.2

7.重原子数量:20

8.表面电荷:0

9.复杂度:445

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:1

14.不确定化学键立构中心数量:0

15.共价键单元数量:1
更多

1.性状：淡黄色结晶。

2.熔点141.5℃。

毒理学数据:

急性毒性LD50雄、雌小鼠，雄、雌大鼠(mg/kg)：3224，2715，993，652口服；2158，1743，1655，2596腹腔注射；全部＞5000皮下注射。急性毒性LD50大鼠致死量：＞5000mg/kg。

LD50(mg/kg)：雄小鼠,经口3224,腹腔注射2158,皮下注射>5000;雌小鼠,经口2715,腹腔注射1743,皮下
注射>5000;雄大鼠,经口993,腹腔注射1655,皮下注射>5000;雌大鼠,经口652,腹腔注射2596,皮下注射>5000.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NI3393500
CHEMICAL NAME :
1H-Imidazole-1-acetonitrile, alpha-(4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene)-, (E)-(+-)-
CAS REGISTRY NUMBER :
101530-10-3
LAST UPDATED :
199612
DATA ITEMS CITED :
17
MOLECULAR FORMULA :
C14-H10-Cl-N3-S2
MOLECULAR WEIGHT :
319.84

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 :
652 mg/kg
TOXIC EFFECTS :
Autonomic Nervous System - other (direct) parasympathomimetic Lungs, Thorax, or Respiration - respiratory depression Skin and Appendages - hair
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 43,195,1992
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 43,195,1992
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1655 mg/kg
TOXIC EFFECTS :
Autonomic Nervous System - other (direct) parasympathomimetic Behavioral - rigidity (including catalepsy) Behavioral - muscle contraction or spasticity
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 43,195,1992
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay) Skin and Appendages - hair Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 43,195,1992
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2715 mg/kg
TOXIC EFFECTS :
Autonomic Nervous System - other (direct) parasympathomimetic Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 43,195,1992
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1743 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Skin and Appendages - hair Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 43,195,1992
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 43,195,1992
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
2 gm/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Liver - other changes Blood - normocytic anemia
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 43,137,1992 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5040 mg/kg/4W-C
TOXIC EFFECTS :
Liver - other changes Endocrine - changes in spleen weight Skin and Appendages - dermatitis, other (after systemic exposure)
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 43,273,1992
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4550 mg/kg/26W-I
TOXIC EFFECTS :
Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder 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: 26,2439,1992
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
9100 mg/kg/26W-I
TOXIC EFFECTS :
Liver - other changes Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - phosphatases
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: 26,2417,1992
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
700 mg/kg/4W-C
TOXIC EFFECTS :
Liver - changes in liver weight Blood - normocytic anemia Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol)
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 43,137,1992 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
7875 mg/kg
SEX/DURATION :
male 63 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - male fertility index (e.g. # males impregnating females per # males exposed to fertile nonpregnant females)
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 43,353,1992
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
550 mg/kg
SEX/DURATION :
female 7-17 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Specific Developmental Abnormalities - musculoskeletal system Reproductive - Effects on Newborn - stillbirth
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 43,369,1992
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
550 mg/kg
SEX/DURATION :
female 7-17 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - live birth index (measured after birth) Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4 per # born alive) Reproductive - Effects on Newborn - behavioral
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 43,369,1992
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
2600 mg/kg
SEX/DURATION :
female 7-21 day(s) after conception lactating female 21 day(s) post-birth
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 43,383,1992
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
1300 mg/kg
SEX/DURATION :
female 6-13 day(s) after conception
TOXIC EFFECTS :
Reproductive - Maternal Effects - other effects
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 43,395,1992

符号 GHS07
GHS07
信号词 Warning
危害声明 H302
个人防护装备 dust mask type N95 (US);Eyeshields;Gloves
危害码 (欧洲) Xn: Harmful;
风险声明 (欧洲) R22
危险品运输编码 NONH for all modes of transport
RTECS号 NI3393500
【方法一】
2-(1-咪唑基)乙腈与二硫化碳和氢氧化钾在二甲基甲酰胺中反应得连二硫酸酯的二钾盐，然后和1-(2-氯苯基)-1，2-二(甲磺酰氧基)乙烷环合。经硅胶柱层析分离(E)和(Z)异构体，而得拉诺康唑。

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