规格 | 价格 | |
---|---|---|
500mg | ||
1g | ||
Other Sizes |
药代性质 (ADME/PK) |
Absorption, Distribution and Excretion
... STUDY IN WHICH ANIMALS WERE ADMIN DAILY 50-100 MG EPSILON-CAPROLACTAM/KG ... RESULTED IN NO ACCUMULATION ... . DETOXICATION RATE OF EPSILON-CAPROLACTAM WAS DETERMINED TO BE BETWEEN 60-70 MG/KG/HR FOR RATS. ... RAPID RATE OF ELIMINATION ... FROM BODY PREVENT ACCUM @ LEVEL CONSIDERABLY GREATER THAN RECOMMENDED TLV. The distribution of (14)C caprolactam was studied by whole body autoradiography in male and female mice 3 hr after oral administration of 6.4-6.9 mg/kg body weight. Radioactivity was rapidly absorbed from the stomach and distributed throughout the entire animal; there was efficient elimination by the kidneys and liver. Material secreted by the liver into bile and intestinal contents did not appear to be reabsorbed via the enterohepatic circulation. When pregnant Swiss-Webster mice were treated by oral intubation with 6.5-6.7 mg/k body weight (14)C caprolactam, rapid transfer of the radioactivity across the placenta was demonstrated by whole body autoradiography, with near complete elimination from the fetal and maternal compartments 24 hr after treatment. When pregnant Swiss-Webster mice were treated by oral intubation with 6.5-6.7 mg/k body weight (14)C caprolactam, rapid transfer of the radioactivity across the placenta was demonstrated by whole-body autoradiography, with near-complete elimination from the fetal and maternal compartments 24 h after treatment. Metabolism / Metabolites METAB STUDIES OF CAPROLACTAM IN RAT & RABBIT PRODUCED EQUIVOCAL RESULTS AS FAR AS THEIR APPLICATION TO MAN IS CONCERNED; RABBIT APPEARED TO METABOLIZE CAPROLACTAM COMPLETELY, WHEREAS RAT EXCRETED CAPROLACTAM ONLY IN PART AS METABOLITE EPSILON-AMINO ACID. EPSILON-CAPROLACTAM IS EXCRETED BY RATS PARTLY AS LACTAM & PARTLY AS EPSILON-AMINO ACID. |
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毒性/毒理 (Toxicokinetics/TK) |
Toxicity Data
LC50 (rat) = 300 mg/m3/2h Non-Human Toxicity Values LD50 Mouse (male) oral 2.1 g/kg LD50 Mouse (female) oral 2.5 g/kg LD50 Rat (male) oral 1.6 g/kg LD50 Rat (female) oral 1.2 g/kg For more Non-Human Toxicity Values (Complete) data for CAPROLACTAM (12 total), please visit the HSDB record page. |
其他信息 |
Caprolactam is a clear to milky white-colored solution with a mild, disagreeable odor. Contact may cause slight irritation to skin, eyes, and mucous membranes. May be mildly toxic by ingestion. The primary hazard is the threat to the environment. Immediate steps should be taken to limit its spread to the environment. As a liquid it can easily penetrate the soil and contaminate groundwater and nearby streams. Used to make other chemicals.
Epsilon-caprolactam is a member of the class of caprolactams that is azepane substituted by an oxo group at position 2. It has a role as a human blood serum metabolite. Caprolactam is used in the manufacture of synthetic fibers. Acute (short-term) exposure to caprolactam may result in irritation and burning of the eyes, nose, throat, and skin in humans. Headaches, malaise, confusion, and nervous irritation have been observed in workers exposed to caprolactam by inhalation. Chronic (long-term) exposure of workers to caprolactam has been observed to cause peeling of the hands and some eye, nose, and throat irritation, but no other effects on general health. EPA has not classified caprolactam for carcinogenicity. Caprolactam has been reported in Fagopyrum esculentum, Nicotiana tabacum, and Vitis vinifera with data available. Cyclic amide of caproic acid used in manufacture of synthetic fibers of the polyamide type. Can cause local irritation. See also: Polyamide-5 (monomer of). |
分子式 |
C6H11NO
|
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分子量 |
113.1576
|
精确质量 |
113.084
|
CAS号 |
105-60-2
|
相关CAS号 |
9012-16-2
|
PubChem CID |
7768
|
外观&性状 |
Hygroscopic leaflets from petroleum ether
White, crystalline solid or flakes ... [Note: Significant vapor concentrations would be expected only at elevated temperatures]. White flakes or fused |
密度 |
1.1±0.1 g/cm3
|
沸点 |
268 ºC
|
熔点 |
68-71 °C(lit.)
|
闪点 |
152 ºC
|
蒸汽压 |
0.0±1.0 mmHg at 25°C
|
折射率 |
1.529
|
LogP |
0.11
|
tPSA |
29.1
|
氢键供体(HBD)数目 |
1
|
氢键受体(HBA)数目 |
1
|
可旋转键数目(RBC) |
0
|
重原子数目 |
8
|
分子复杂度/Complexity |
90.5
|
定义原子立体中心数目 |
0
|
SMILES |
O=C1C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1[H]
|
InChi Key |
JBKVHLHDHHXQEQ-UHFFFAOYSA-N
|
InChi Code |
InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)
|
化学名 |
azepan-2-one
|
HS Tariff Code |
2934.99.9001
|
存储方式 |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
运输条件 |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
溶解度 (体外实验) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
|
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溶解度 (体内实验) |
注意: 如下所列的是一些常用的体内动物实验溶解配方,主要用于溶解难溶或不溶于水的产品(水溶度<1 mg/mL)。 建议您先取少量样品进行尝试,如该配方可行,再根据实验需求增加样品量。
注射用配方
注射用配方1: DMSO : Tween 80: Saline = 10 : 5 : 85 (如: 100 μL DMSO → 50 μL Tween 80 → 850 μL Saline)(IP/IV/IM/SC等) *生理盐水/Saline的制备:将0.9g氯化钠/NaCl溶解在100 mL ddH ₂ O中,得到澄清溶液。 注射用配方 2: DMSO : PEG300 :Tween 80 : Saline = 10 : 40 : 5 : 45 (如: 100 μL DMSO → 400 μL PEG300 → 50 μL Tween 80 → 450 μL Saline) 注射用配方 3: DMSO : Corn oil = 10 : 90 (如: 100 μL DMSO → 900 μL Corn oil) 示例: 以注射用配方 3 (DMSO : Corn oil = 10 : 90) 为例说明, 如果要配制 1 mL 2.5 mg/mL的工作液, 您可以取 100 μL 25 mg/mL 澄清的 DMSO 储备液,加到 900 μL Corn oil/玉米油中, 混合均匀。 View More
注射用配方 4: DMSO : 20% SBE-β-CD in Saline = 10 : 90 [如:100 μL DMSO → 900 μL (20% SBE-β-CD in Saline)] 口服配方
口服配方 1: 悬浮于0.5% CMC Na (羧甲基纤维素钠) 口服配方 2: 悬浮于0.5% Carboxymethyl cellulose (羧甲基纤维素) 示例: 以口服配方 1 (悬浮于 0.5% CMC Na)为例说明, 如果要配制 100 mL 2.5 mg/mL 的工作液, 您可以先取0.5g CMC Na并将其溶解于100mL ddH2O中,得到0.5%CMC-Na澄清溶液;然后将250 mg待测化合物加到100 mL前述 0.5%CMC Na溶液中,得到悬浮液。 View More
口服配方 3: 溶解于 PEG400 (聚乙二醇400) 请根据您的实验动物和给药方式选择适当的溶解配方/方案: 1、请先配制澄清的储备液(如:用DMSO配置50 或 100 mg/mL母液(储备液)); 2、取适量母液,按从左到右的顺序依次添加助溶剂,澄清后再加入下一助溶剂。以 下列配方为例说明 (注意此配方只用于说明,并不一定代表此产品 的实际溶解配方): 10% DMSO → 40% PEG300 → 5% Tween-80 → 45% ddH2O (或 saline); 假设最终工作液的体积为 1 mL, 浓度为5 mg/mL: 取 100 μL 50 mg/mL 的澄清 DMSO 储备液加到 400 μL PEG300 中,混合均匀/澄清;向上述体系中加入50 μL Tween-80,混合均匀/澄清;然后继续加入450 μL ddH2O (或 saline)定容至 1 mL; 3、溶剂前显示的百分比是指该溶剂在最终溶液/工作液中的体积所占比例; 4、 如产品在配制过程中出现沉淀/析出,可通过加热(≤50℃)或超声的方式助溶; 5、为保证最佳实验结果,工作液请现配现用! 6、如不确定怎么将母液配置成体内动物实验的工作液,请查看说明书或联系我们; 7、 以上所有助溶剂都可在 Invivochem.cn网站购买。 |
制备储备液 | 1 mg | 5 mg | 10 mg | |
1 mM | 8.8370 mL | 44.1852 mL | 88.3704 mL | |
5 mM | 1.7674 mL | 8.8370 mL | 17.6741 mL | |
10 mM | 0.8837 mL | 4.4185 mL | 8.8370 mL |
1、根据实验需要选择合适的溶剂配制储备液 (母液):对于大多数产品,InvivoChem推荐用DMSO配置母液 (比如:5、10、20mM或者10、20、50 mg/mL浓度),个别水溶性高的产品可直接溶于水。产品在DMSO 、水或其他溶剂中的具体溶解度详见上”溶解度 (体外)”部分;
2、如果您找不到您想要的溶解度信息,或者很难将产品溶解在溶液中,请联系我们;
3、建议使用下列计算器进行相关计算(摩尔浓度计算器、稀释计算器、分子量计算器、重组计算器等);
4、母液配好之后,将其分装到常规用量,并储存在-20°C或-80°C,尽量减少反复冻融循环。
计算结果:
工作液浓度: mg/mL;
DMSO母液配制方法: mg 药物溶于 μL DMSO溶液(母液浓度 mg/mL)。如该浓度超过该批次药物DMSO溶解度,请首先与我们联系。
体内配方配制方法:取 μL DMSO母液,加入 μL PEG300,混匀澄清后加入μL Tween 80,混匀澄清后加入 μL ddH2O,混匀澄清。
(1) 请确保溶液澄清之后,再加入下一种溶剂 (助溶剂) 。可利用涡旋、超声或水浴加热等方法助溶;
(2) 一定要按顺序加入溶剂 (助溶剂) 。