药物化合物包括碳、氢和其他元素的稳定重同位素，在药物开发过程中主要作为定量示踪剂。由于氘化可能会影响药物的药代动力学和代谢特性，因此值得关注[1]。

Absorption, Distribution and Excretion
Following ingestion of a 2.0 g/kg dose of cetyl alcohol in rats, partial absorption was observed. Gavage administration of 0.2 mg cetyl alcohol via gastric tube to rats showed good absorption, with 63-96% of the radiolabeled cetyl alcohol detected in lymph. Approximately 15% of the cetyl alcohol remained unchanged as it passed through the small intestinal mucosal cells, but most was oxidized to palmitic acid. The absorption rate in poultry has been reported to be 26%. Following ingestion of a 2.0 g/kg dose in rats, approximately 20% of the dose was excreted in feces as unchanged molecules. This is likely due to the interconversion of fatty acids and alcohols, leading to the conversion of palmitic acid to cetyl alcohol as it passes through the intestinal mucosal cells into the intestinal lumen. In rats, cetyl alcohol is also excreted in urine as conjugated glucuronic acid and exhaled carbon dioxide. Following ingestion of a 2.0 g/kg body weight dose in rats, 1-hexadecane was partially absorbed and metabolized, with approximately 20% excreted unchanged in feces.

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Metabolism/Metabolites
In rats, cetyl alcohol is partially metabolized to palmitic acid after ingestion of a 2.0 g/kg dose. After administration of 0.2 mg cetyl alcohol via gastric tube to rats, most of the cetyl alcohol is oxidized to palmitic acid as it passes through the small intestinal mucosal cells and is incorporated into triglycerides and phospholipids.
Cetyl alcohol is oxidized to the corresponding fatty acid, palmitic acid, in rats.
Primary fatty alcohols undergo two main reactions in vivo: oxidation to carboxylic acids and direct conjugation with glucuronic acid. The first reaction generates an intermediate aldehyde, from which the carboxylic acid may be completely oxidized to carbon dioxide, excreted as carbon dioxide, or conjugated with glucuronic acid to form ester glucuronide. The extent to which alcohols undergo the second reaction (i.e., direct conjugation with ether glucuronide) appears to depend on the rate of the first reaction; unless high doses are administered, alcohols are generally not rapidly oxidized, forming only small amounts of ether glucuronide.

Toxicity Data
LCLo (Rat) = 2,220 mg/m³/6h Interactions ...Cynanchase loses activity within 30 minutes in the presence of triethanolamine stearate, tripalmitate, and cetyl alcohol. Non-human Toxicity Values Guinea Pig Dermal LD50 < 10 g/kg Rat Oral LD50 5 g/kg Rat Intraperitoneal LD50 1600 mg/kg Mouse Oral LD50 3200 mg/kg Mouse Intraperitoneal LD50 1600 mg/kg

[1]. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216.

[2]. Anti-proliferative effect of novel primary cetyl alcohol derived sophorolipids against human cervical cancer cells HeLa. PLoS One. 2017 Apr 18;12(4):e0174241.

Hexadecane-1-ol is a long-chain primary fatty alcohol, formed by replacing the hydroxyl group at the 1-position of hexadecane. It is a human metabolite, an algal metabolite, a plant metabolite, and a flavoring agent. It is a long-chain primary fatty alcohol and also a type of hexadecyl alcohol. Cetyl alcohol, also known as 1-hexadecyl alcohol or n-hexadecyl alcohol, is a 16-carbon fatty alcohol with the chemical formula CH3(CH2)15OH. It can be prepared by the reduction reaction of palmitic acid. Cetyl alcohol is a waxy white powder or flakes at room temperature, insoluble in water but soluble in alcohols and oils. Discovered by Chevrenl in 1913, cetyl alcohol is one of the oldest known long-chain alcohols. It may be found in cosmetics and personal care products such as shampoos, creams, and lotions. Cetyl alcohol is mainly used as a sunscreen, emulsifier, and thickener, capable of altering the consistency of liquids and enhancing and stabilizing foaming ability. Due to its water-retaining properties, cetyl alcohol is often used as a moisturizer to prevent dry and chapped skin. According to federal regulations of the U.S. Food and Drug Administration (FDA), cetyl alcohol is a safe synthetic fatty acid that can be used in the synthesis of food and food ingredients, provided that its total alcohol content is not less than 98% and its linear alcohol content is not less than 94%. Cetyl alcohol is also listed as an over-the-counter drug ingredient as a skin protectant to relieve skin irritation caused by poison ivy, poison oak, sumac, and insect bites. Cetyl alcohol has been reported to have mild skin or eye irritation. 1-Hexadecyl alcohol has been found in tea (Camellia sinensis), angelica (Angelica gigas), and other organisms with relevant data. Cetyl alcohol is a synthetic solid fatty alcohol and a nonionic surfactant. Cetyl alcohol is used as an emulsifier in pharmaceutical preparations. Cetyl alcohol, also known as 1-hexadecyl alcohol and palmitol, is a solid organic compound belonging to the alcohol class. Its chemical formula is CH3(CH2)15OH. At room temperature, cetyl alcohol is a waxy white solid or flakes. It belongs to the fatty alcohol class. With the decline of commercial whaling, cetyl alcohol is no longer primarily produced from whale oil, but rather as a final product of the petroleum industry or from vegetable oils such as palm and coconut oil. Cetyl alcohol is produced from palm oil, hence one of its alternative names is palm alcohol.
See also: cetyl alcohol; cetyl palmitate; tylosap (ingredient); moringa leaf oil (partial); C14-18 alcohol (note moved to)...see more...

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Drug Indications
No drug indications. Can be used as an indirect additive to food contact substances, or as a commercial or cosmetic ingredient.

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Mechanism of Action
Cetyl alcohol has moisturizing properties, making it a suitable emulsifier and stabilizer in pharmaceutical preparations. It is also present in washable ointment bases due to its dispersibility and stability. The potential antibacterial activity of cetyl alcohol may result from altered cell membrane permeability, which hinders the absorption of essential nutrients and induces the outward diffusion of important cellular components. The proposed mechanism of action is believed to be similar to that of other long-chain fatty alcohols with the same antibacterial activity, such as myristicin and behenol.

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Therapeutic Uses
Synthetic surfactants (Exosurf) and their non-surfactant components, tylosaprol and cetyl alcohol, can act as antioxidants; in vivo infusion can reduce hyperoxia-induced injury in rats.

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Pharmacodynamics
Cetyl alcohol has a protective effect on the skin against skin irritation caused by bites, rashes, and stings. Cetyl alcohol has been reported to inhibit the growth of Mycoplasma gallisepticum and Mycoplasma pneumoniae.

C16H31D3O

245.46

245.28

75736-52-6

1-Hexadecanol;36653-82-4

2682

FLAKES FROM ETHYL ACETATE
SOLID OR LEAF-LIKE CRYSTALS
White crystals
UNCTUOUS, WHITE FLAKES, GRANULES, CUBES, OR CASTINGS
White, waxy solid

5.46

20.23

1

1

14

17

123

0

CCCCCCCCCCCCCCCCO

BXWNKGSJHAJOGX-UHFFFAOYSA-N

InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3

hexadecan-1-ol

2934.99.9001

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

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

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。

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注射用配方1: DMSO : Tween 80： Saline = 10 : 5 : 85 (如： 100 μL DMSO → 50 μL Tween 80 → 850 μL Saline)
*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。

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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)]
*20% SBE-β-CD in Saline的制备（4°C，储存1周）：将2g SBE-β-CD (磺丁基-β-环糊精) 溶解于10mL生理盐水中，得到澄清溶液。
注射用配方 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (如： 500 μL 2-Hydroxypropyl-β-cyclodextrin (羟丙基环胡精)→ 500 μL Saline)
注射用配方 6: DMSO : PEG300 : Castor oil : Saline = 5 : 10 : 20 : 65 (如： 50 μL DMSO → 100 μL PEG300 → 200 μL Castor oil → 650 μL Saline)
注射用配方 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (如： 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline)
注射用配方 8: 溶解于Cremophor/Ethanol (50 : 50), 然后用生理盐水稀释。
注射用配方 9: EtOH : Corn oil = 10 : 90 (如： 100 μL EtOH → 900 μL Corn oil)
注射用配方 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (如： 100 μL EtOH → 400 μL PEG300 → 50 μL Tween 80 → 450 μL Saline)

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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。

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口服配方 3: 溶解于 PEG400 (聚乙二醇400)
口服配方 4: 悬浮于0.2% Carboxymethyl cellulose (羧甲基纤维素)
口服配方 5: 溶解于0.25% Tween 80 and 0.5% Carboxymethyl cellulose (羧甲基纤维素)
口服配方 6: 做成粉末与食物混合

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注意: 以上为较为常见方法，仅供参考， InvivoChem并未独立验证这些配方的准确性。具体溶剂的选择首先应参照文献已报道溶解方法、配方或剂型，对于某些尚未有文献报道溶解方法的化合物，需通过前期实验来确定（建议先取少量样品进行尝试），包括产品的溶解情况、梯度设置、动物的耐受性等。

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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。