| 规格 | 价格 | 库存 | 数量 |
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| 50mg |
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| 100mg |
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| 250mg |
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| 500mg |
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| 1g |
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| 2g |
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| 5g |
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| Other Sizes |
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| 体外研究 (In Vitro) |
ES-2、HOV-7、MCF-7、Hela、SW1990、HT1080 和 MM-468 细胞的活力被阿达帕林（1 - 200 μM；24 小时）抑制，IC50 值为 10.36 μM、10.81 μM、12.00 μM、19.08，按此顺序。 19.52 μM、21.70 μM、31.47 μM 和 μM[2]。阿达帕林（10–40 μM；24 小时）可降低体外增殖并导致 ES-2 细胞凋亡 [2]。在 LoVo 或 DLD1 细胞中，adipalene（3-30 μM；6-24 小时）可显着提高 G1 期细胞群 [3]。 GOT1 活性被 dipalene (1 - 200 μM) 抑制，IC50 为 21.79 μM[2]。 I 型转谷氨酰胺酶是一种与质膜相连的酶，可被 adipalene (10-6-10-3 nM) 抑制，IC 值为 50±2.5 nM[1]。
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| 体内研究 (In Vivo) |
在 BALB/C 裸鼠中，阿达帕林（15-100 mg/kg；每天口服，持续 21 天）抑制源自 DLD1 细胞的异种移植肿瘤的生长 [3]。
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| 细胞实验 |
细胞活力检测[2]
细胞类型：胰腺癌（SW1990、Aspc-1）、乳腺癌（mm-231、mm-468、MCF-7）、肝癌（Hep3B） 、宫颈癌 (Hela)、卵巢癌 (HOV-7、ES-2)、正常细胞 (CHO、L929) 测试浓度： 1-200 μM 孵育持续时间：24小时 实验结果：抑制癌细胞的活力，GOT1蛋白表达较高。 细胞凋亡分析[2] 细胞类型： ES -2 细胞[2] 测试浓度： 10、20、40 μM 孵育持续时间：24小时 实验结果：与对照组相比，细胞凋亡显着增加。下调抗凋亡蛋白Bcl-2和PARP的表达。 细胞周期分析[3] 细胞类型： LoVo 或 DLD1 细胞 测试浓度： 3、10、30 μM 孵育持续时间：6、12、24 小时 实验结果：以剂量和时间依赖性方式导致细胞周期停滞在 G1 期。 |
| 动物实验 |
Animal/Disease Models: Female BALB/C nude mice (15 g, 4-5 weeks) were injected with DLD1 cells[3]
Doses: 15, 20, 65, 100 mg/kg Route of Administration: Po daily for 21 days Experimental Results: Dramatically decreased tumor weight and volume. |
| 药代性质 (ADME/PK) |
Absorption, Distribution and Excretion
Adapalene is applied topically and absorbed through the skin. In one clinical study treating patients once per day with 2g of 0.3% gel applied to 2 mg/cm2 of skin, 15 patients had detectable blood plasma adapalene levels (0.1 ng/ml) resulting in a mean Cmax of 0.553 ± 0.466 ng/ml and a mean AUC of 8.37 ± 8.46 ng\*h/ml on day 10. Adapalene is primarily excreted by the biliary route at about 30 ng/g of the topically applied amount. Approximately 75% of the drug remains unchanged. Adapalene is rapidly cleared from blood plasma, typically undetectable after 72 hours following topical application. Metabolism / Metabolites Extensive information regarding adapalene metabolism in humans is unavailable, although it is known to accumulate in the liver and GI-tract. In human, mouse, rat, rabbit, and dog cultured hepatocytes, metabolism appears to affect the methoxybenzene moiety but remains incompletely characterized. The major products of metabolism are glucuronides. Approximately 25% of the drug is metabolized; the rest is excreted as parent drug. Metabolized mainly by O-demethylation, hydroxylation and conjugation, and excretion is primarily by the biliary route. Route of Elimination: Excretion appears to be primarily by the biliary route. Biological Half-Life In one clinical study, after ten days of treatment with 2g of 0.3% cream or gel, the terminal half-life was between 7 and 51 hours, with a mean of 17.2 ± 10.2. |
| 毒性/毒理 (Toxicokinetics/TK) |
Toxicity Summary
Mechanistically, adapalene binds to specific retinoic acid nuclear receptors (gamma and beta) and retinoid X receptors but does not bind to the cytosolic receptor protein. Although the exact mode of action of adapalene is unknown, it is suggested that topical adapalene may normalize the differentiation of follicular epithelial cells resulting in decreased microcomedone formation. Effects During Pregnancy and Lactation ◉ Summary of Use during Lactation Topical adapalene has not been studied during breastfeeding. Because it is poorly absorbed after topical application, and blood levels are less than 0.25 mcg/L with long-term use, it is probably a low risk to the nursing infant. Absorption should be minimized by applying it to the smallest possible surface area of the body for the shortest time possible. Do not apply to the nipple area and ensure that the infant's skin does not come into direct contact with the areas of skin that have been treated. ◉ Effects in Breastfed Infants Relevant published information was not found as of the revision date. ◉ Effects on Lactation and Breastmilk Relevant published information was not found as of the revision date. Toxicity Data The acute oral toxicity of adapalene in mice and rats is greater than 10 mL/kg |
| 参考文献 |
[1]. Shroot B, et, al. Pharmacology and chemistry of adapalene. J Am Acad Dermatol. 1997 Jun;36(6 Pt 2):S96-103.
[2]. Wang Q, et, al. Adapalene inhibits ovarian cancer ES-2 cells growth by targeting glutamic-oxaloacetic transaminase 1. Bioorg Chem. 2019 Dec;93:103315. [3]. Shi XN, et, al. Adapalene inhibits the activity of cyclin-dependent kinase 2 in colorectal carcinoma. Mol Med Rep. 2015 Nov;12(5):6501-8. |
| 其他信息 |
Pharmacodynamics
Adapalene is anticomedogenic, preventing the formation of new comedones and inflammatory lesions, and also acts to reduce inflammation by modulating the innate immune response. Like other retinoid compounds, adapalene is chemically stable but photosensitive; use with sunscreen is recommended. Minor skin irritations, including erythema, scaling, dryness, and stinging/burning, have been reported. |
| 分子式 |
C28H28O3
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|---|---|---|
| 分子量 |
412.52
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| 精确质量 |
412.203
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| CAS号 |
106685-40-9
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| 相关CAS号 |
Adapalene sodium salt;911110-93-5;Adapalene-d3;1276433-89-6
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| PubChem CID |
60164
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| 外观&性状 |
White to off-white solid powder
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| 密度 |
1.2±0.1 g/cm3
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| 沸点 |
606.3±55.0 °C at 760 mmHg
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| 熔点 |
319-322ºC
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| 闪点 |
205.9±25.0 °C
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| 蒸汽压 |
0.0±1.8 mmHg at 25°C
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| 折射率 |
1.655
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| LogP |
8.04
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| tPSA |
46.53
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| 氢键供体(HBD)数目 |
1
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| 氢键受体(HBA)数目 |
3
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| 可旋转键数目(RBC) |
4
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| 重原子数目 |
31
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| 分子复杂度/Complexity |
645
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| 定义原子立体中心数目 |
0
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| SMILES |
O=C(C1=CC2=CC=C(C3=CC=C(OC)C(C45C[C@@H](C[C@H](C6)C5)C[C@@H]6C4)=C3)C=C2C=C1)O
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| InChi Key |
LZCDAPDGXCYOEH-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)
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| 化学名 |
6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylic acid
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| 别名 |
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| HS Tariff Code |
2934.99.9001
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| 存储方式 |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
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| 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)
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| 溶解度 (体外实验) |
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| 溶解度 (体内实验) |
配方 1 中的溶解度: 1 mg/mL (2.42 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (这些助溶剂从左到右依次添加，逐一添加), 悬浮液；超声助溶。
例如，若需制备1 mL的工作液，可将100 μL 10.0 mg/mL澄清DMSO储备液加入400 μL PEG300中，混匀；然后向上述溶液中加入50 μL Tween-80，混匀；加入450 μL生理盐水定容至1 mL。 *生理盐水的制备：将 0.9 g 氯化钠溶解在 100 mL ddH₂O中，得到澄清溶液。 配方 2 中的溶解度: ≥ 1 mg/mL (2.42 mM) (饱和度未知) in 10% DMSO + 90% Corn Oil (这些助溶剂从左到右依次添加，逐一添加), 澄清溶液。 例如，若需制备1 mL的工作液，可将 100 μL 10.0 mg/mL 澄清 DMSO 储备液加入到 900 μL 玉米油中并混合均匀。 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 | 2.4241 mL | 12.1206 mL | 24.2412 mL | |
| 5 mM | 0.4848 mL | 2.4241 mL | 4.8482 mL | |
| 10 mM | 0.2424 mL | 1.2121 mL | 2.4241 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) 。
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT04823845 | Withdrawn | Drug: Topical Adapalene Gel 0.1% | Plantar Wart | University of Louisville | May 1, 2022 | Early Phase 1 |
| NCT01951417 | Completed Has Results | Drug: Adapalene/BPO Gel Other: Moisturizer SPF 30 |
Acne | Galderma R&D | October 2013 | Phase 4 |
| NCT05536882 | Withdrawn | Drug: Benzoyl peroxide Drug: Adapalene Gel |
Molluscum Contagiosum | University of Oklahoma | May 18, 2022 | Phase 3 |
| NCT02932267 | Completed Has Results | Drug: Adapalene 0.3% / BPO 2.5% gel | Acne Vulgaris | Galderma R&D | February 2, 2017 | Phase 3 |
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