Desmethyldoxepin (hydrochloride)
(Synonyms: N-去甲盐酸多塞平,Desmethyldoxepin hydrochloride) 目录号 : GC43422
The primary metabolite of doxepin
Cas No.:2887-91-4
Sample solution is provided at 25 µL, 10mM.
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Quality Control & SDS
- View current batch:
- Purity: >98.00%
- COA (Certificate Of Analysis)
- SDS (Safety Data Sheet)
- Datasheet
Doxepin is a tricyclic antidepressant. Desmethyldoxepin is the primary metabolite of doxepin, produced by metabolism at the liver. The metabolism of tricyclic antidepressants, including doxepin, is affected by a variety of factors, including age, genetics, and drug-drug interactions.
| Cas No. | 2887-91-4 | SDF | |
| 别名 | N-去甲盐酸多塞平,Desmethyldoxepin hydrochloride | ||
| Canonical SMILES | CNCC/C=C1C2=C(C=CC=C2)COC3=C/1C=CC=C3.Cl | ||
| 分子式 | C18H19NO•HCl | 分子量 | 301.8 |
| 溶解度 | DMF: 30 mg/ml,DMSO: 30 mg/ml,Ethanol: 15 mg/ml,PBS (pH 7.2): 1 mg/ml | 储存条件 | Store at -20°C |
| General tips | 请根据产品在不同溶剂中的溶解度选择合适的溶剂配制储备液；一旦配成溶液，请分装保存，避免反复冻融造成的产品失效。 储备液的保存方式和期限：-80°C 储存时，请在 6 个月内使用，-20°C 储存时，请在 1 个月内使用。 为了提高溶解度，请将管子加热至37℃，然后在超声波浴中震荡一段时间。 |
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| Shipping Condition | 评估样品解决方案：配备蓝冰进行发货。所有其他可用尺寸：配备RT，或根据请求配备蓝冰。 | ||
| 制备储备液 | |||
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1 mg | 5 mg | 10 mg |
| 1 mM | 3.3135 mL | 16.5673 mL | 33.1345 mL |
| 5 mM | 0.6627 mL | 3.3135 mL | 6.6269 mL |
| 10 mM | 0.3313 mL | 1.6567 mL | 3.3135 mL |
| 第一步：请输入基本实验信息（考虑到实验过程中的损耗，建议多配一只动物的药量） | ||||||||||
| 给药剂量 | mg/kg |  |
动物平均体重 | g | |
每只动物给药体积 | ul | |
动物数量 | 只 |
| 第二步：请输入动物体内配方组成（配方适用于不溶于水的药物；不同批次药物配方比例不同，请联系GLPBIO为您提供正确的澄清溶液配方） | ||||||||||
| % DMSO % % Tween 80 % saline | ||||||||||
| 计算重置 | ||||||||||
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，
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 saline，混匀澄清。
1. 首先保证母液是澄清的；
2.
一定要按照顺序依次将溶剂加入，进行下一步操作之前必须保证上一步操作得到的是澄清的溶液，可采用涡旋、超声或水浴加热等物理方法助溶。
3. 以上所有助溶剂都可在 GlpBio 网站选购。
Detection of doxepin and its major metabolite Desmethyldoxepin in hair following drug therapy
J Anal Toxicol 1998 Oct;22(6):531-6.PMID:9788530DOI:10.1093/jat/22.6.531.
Doxepin is a tricyclic antidepressant that is widely prescribed for the treatment of mild depression. In this study, hair samples collected from a patient receiving 25 mg of doxepin daily were analyzed. Doxepin was administered to the patient for 4 months (June 15 to October 15, 1996). Five hair samples were collected: 1 and 3 months after doxepin therapy began and 1, 3, and 5 months after drug therapy ended. Solid-phase extraction was employed to isolate doxepin and its major metabolite Desmethyldoxepin from the hair matrix, and gas chromatography-mass spectrometry (GC-MS) was used for quantitation of both drugs. Six-point standard curves (0.25-20 ng/mg) were prepared for both compounds with an internal standard (doxepin-d3). The standard curves for doxepin and Desmethyldoxepin were linear over the range reported and had correlation coefficients of 0.984 and 0.985, respectively. The limit of quantitation for both analytes was 0.25 ng/mg of hair. In addition, the replicate analysis of control hair preparations was performed at two levels (2 ng/mg and 15 ng/mg) to determine intra- and interday variability. Doxepin and Desmethyldoxepin were not detected in the patient's sample collected 1 month after doxepin therapy began. The samples collected 3 months after doxepin therapy began and 5 months after drug therapy was terminated had detectable amounts of doxepin and Desmethyldoxepin. The highest concentrations of doxepin (mean, 0.59 ng/mg) and Desmethyldoxepin (mean, 0.40 ng/mg) were found 5 months after doxepin therapy began, which was also 1 month after the patient had stopped using the drug. Five months after doxepin therapy was terminated, the drug and its metabolite were still present in the patient's hair. The concentration of doxepin in hair was always significantly higher than the concentration of Desmethyldoxepin.
Hemodialysis of doxepin and Desmethyldoxepin in uremic patients
Artif Organs 1984 May;8(2):151-5.PMID:6732542DOI:10.1111/j.1525-1594.1984.tb04264.x.
The disposition of doxepin and its active metabolite Desmethyldoxepin was investigated in five uremic patients undergoing hemodialysis. The hemodialysis system yielded a mean extraction efficiency of 7.6% for doxepin and 13.9% for Desmethyldoxepin. Mean dialysis clearances were 10.8 and 18.1 ml/min for doxepin and Desmethyldoxepin, respectively. The drug and metabolite recovery constituted a very small fraction of the body store, i.e., less than 1%. Hemodialysis did not significantly alter the plasma half-life of doxepin, 14.6 +/- 4.3 h, or of Desmethyldoxepin, 25.4 +/- 5.5 h. The nondialyzability of both compounds could be attributed to the compounds' protein binding and volume of distribution. The dialysis experiments show that modification of the usual dosage regimen is not necessary during hemodialysis or on dialysis days. The dialysis parameters confirm that hemodialysis is not likely to be of value in the management of acute doxepin poisoning.
Protein binding of doxepin and Desmethyldoxepin
Acta Pharmacol Toxicol (Copenh) 1982 Aug;51(2):159-64.PMID:7113722DOI:10.1111/j.1600-0773.1982.tb01008.x.
The protein binding of doxepin (DOX) and Desmethyldoxepin (DDOX) were studied in serum and plasma samples from healthy volunteers and psychiatric patients. Binding was measured by equilibrium dialysis (16 hrs at 37 degrees) and drug concentrations by radioimmunoassay. In addition, albumin and alpha 1-acid glycoprotein concentrations of the samples were measured by radial immunodiffusion. The mean +/- SEM percentages of unbound DOX were: 20.4 +/- 1.2 and 15.9 +/- 1.2 in healthy subjects (n = 16) and patients (n = 15) respectively, and those of DDOX: 21.4 +/- 0.9 and 19.0 +/- 1.4 for healthy subjects and patients, respectively. There was a significant negative correlation between serum alpha 1-acid glycoprotein concentration and free fraction of DOX in both groups. In healthy subjects a significant negative correlation was also found between albumin concentrations and free fraction of both DOX and DDOX. Binding experiments with isolated protein fractions revealed that all of the total binding in plasma could be explained by binding to albumin and alpha 1-acid glycoprotein. The observed 2--4-fold interindividual variability in the free fractions of these drugs is probably less important than the much larger variability in the total serum concentrations.
Radioimmunoassay for doxepin and Desmethyldoxepin
Acta Pharmacol Toxicol (Copenh) 1980 Oct;47(4):274-8.PMID:7468227DOI:10.1111/j.1600-0773.1980.tb03654.x.
A simple and sensitive radioimmunoassay (RIA) for the determination of doxepin and Desmethyldoxepin in plasma or serum has been developed using a previously reported antiserum to the tricyclic anti-depressants. Before assay, doxepin is separated from Desmethyldoxepin with selective extraction at different pH values enabling each to be measured specifically. 3H-imipramine is used as tracer. By using the extraction procedure doxepin and Desmethyldoxepin concentrations can be measured down to 9 nmol/1 from a 0.1 ml sample. If necessary, sensitivity can be doubled by taking a 0.2 ml sample to extraction. Recoveries of doxepin and Desmethyldoxepin were quantitative when the drugs were added at different concentrations to normal, pooled human plasma and the inter- and intra-assay coefficients of variation did not exceed 9%. The concentrations obtained from patient samples by the present RIA correlated well with those by high-pressure liquid chromatography. The RIA was also shown to be useful in pharmacokinetic single dose studies with doxepin.
Solubility and ionization characteristics of doxepin and Desmethyldoxepin
J Pharm Sci 1982 Feb;71(2):191-3.PMID:7062243DOI:10.1002/jps.2600710213.
The theromdynamic pKa values for doxepin and its metabolite Desmethyldoxepin were determined by the solubility method to be 8.96 and 9.75, respectively at 25 degrees. The intrinsic solubilities for doxepin and Desmethyldoxepin were linearly dependent upon ionic strength. The intrinsic solubilities at zero ionic strength and 25 degrees were determined to be 1,13 x 10(-4) M for doxepin and 3.95 x 10(-4) M for Desmethyldoxepin. The solubility experiment was repeated at different temperatures and a constant ionic strength of 0.167 M. The change in enthalpy (6.71 kcal/mole) and entropy (-4.16 cal/mole degrees K) of solution for doxepin was determined from a van't Hoff plot for this nonideal system. The apparent partition coefficient between hexane and water for the doxepin free base was determined to be 13,615 at an ionic strength of 0.067 M.