CYP2C19 和 CYP3A4 被 secnidillo (RP-14539) 抑制（0-5000 μM；5 或 10 分钟），IC50 值分别为 3873 μM 和 3722 μM [2]。关于时间依赖性抑制，塞克硝唑（0-5000 μM；5 或 10 分钟）没有显示任何证据[2]。塞克硝唑（0-5000 μM；5 或 10 分钟）直接抑制人 ALDH2，其表观 IC50 值为 503 μM [2]。塞克硝唑（0-5000 μM；5 或 10 分钟）在较高剂量下以浓度依赖性方式抑制多种 CYP 异构体，包括 CYP2A6、CYP2B6 和 CYP2D6 [2]。塞克硝唑抑制粘质沙雷氏菌的生长（10 μL；20 小时；使用 Mueller-Hinton 肉汤将塞克硝唑溶液连续稀释两倍，产生从 80 至 0.3125 mg/mL 的稀释液）； MIC50 值为 10 mg/mL[3]。

塞克硝唑（100μL；腹腔注射；5天）可以减轻小鼠粘质沙门氏菌的发病，并对其发病具有预防作用[3]。

细胞活力测定[3]
细胞类型： S.marcescens
测试浓度： 10 μL（塞克硝唑溶液使用 Mueller-Hinton 连续稀释两倍肉汤以获得从 80 至 0.3125 mg/mL 的稀释液）
孵育时间： 20 小时
实验结果： 2 mg/mL（相当于 1/5） MIC)对粘质沙雷氏菌的生长无抑制作用。

Animal/Disease Models: Female healthy albino mouse[3]
Doses: 100 μL Administration
Doses: 100 μL; intellectual property. ; Results for 5 days: Dramatically diminished the ability of bacteria to kill mice.

Absorption, Distribution and Excretion
Secnidazole is rapidly and completely absorbed after oral administration. Following administration of a single oral dose of 2 g in healthy adult female subjects, the mean (SD) Cmax was 45.4 (7.64) mcg/mL and mean (SD) systemic exposure (AUC0-inf) was 1331.6 (230.16) mcg x hr/mL. Tmax ranged from three to four hours. Food has negligible effects on drug absorption and systemic exposure.
Following oral administration of a 2 g oral dose of secnidazole, approximately 15% of the drug was excreted as unchanged secnidazole in the urine.
The apparent volume of distribution of secnidazole is approximately 42 L.
The total body clearance of secnidazole is approximately 25 mL/min. The renal clearance is approximately 3.9 mL/min.

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Metabolism / Metabolites
The metabolism of secnidazole has not been fully characterized. According to _in vitro_ studies, secnidazole is metabolized by hepatic CYP450 enzymes, with less than or equal to 1% of the parent drug converted to metabolites. Secnidazole was found to be metabolized by CYP3A4 and CYP3A5 but to a limited extent. Secnidazole most likely undergoes oxidation. A hydroxymethyl metabolite and glucuronide conjugates of secnidazole have been detected in urine.

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Biological Half-Life
The plasma elimination half-life for secnidazole is approximately 17 hours.

Hepatotoxicity
Secnidazole is typically given as a single oral dose and, in follow up, de novo serum enzyme elevations occur rarely, overall rates being less than 0.5% of participants. In prelicensure studies, there were no reported cases of clinically apparent liver injury. Furthermore, despite considerable use worldwide, secnidazole has not been linked convincingly to instances of clinically apparent liver injury with jaundice.
Likelihood score: E (unlikely cause of clinically apparent liver injury).

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Effects During Pregnancy and Lactation
◉ Summary of Use during Lactation
No information is available on the clinical use of secnidazole during breastfeeding and no studies have evaluated adverse effects of secnidazole on the infant during breastfeeding, but presumably they are similar to those of the closely related drug, metronidazole, such as increased risk of oral and rectal Candida infections.
As with metronidazole, concern has been raised about exposure of healthy infants to secnidazole via breastmilk, because of possible mutagenicity and carcinogenicity. Based on the elimination half-life of secnidazole of approximately 17 hours, the manufacturer recommends avoidance of breastfeeding for 96 after a single dose. Other drugs are available for bacterial vaginosis, and can be given vaginally, which should result in lower amounts in breastmilk.
◉ 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.

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Protein Binding
The plasma protein binding of secnidazole is less than 5%.

[1]. Secnidazole. LiverTox: Clinical and Research Information on Drug-Induced Liver Injury, National Institute of Diabetes and Digestive and Kidney Diseases, 25 February 2020.
[2]. Helen S Pentikis, et al. In vitro metabolic profile and drug-drug interaction assessment of secnidazole, a high-dose 5-nitroimidazole antibiotic for the treatment of bacterial vaginosis. Pharmacol Res Perspect. 2020 Aug;8(4):e00634.
[3]. Ahdab N Khayyat, et al. Secnidazole Is a Promising Imidazole Mitigator of Serratia marcescens Virulence. Microorganisms. 2021 Nov 11;9(11):2333.

Secnidazole is a C-nitro compound that is 5-nitroimidazole in which the hydrogens at positions 1 and 2 are replaced by 2-hydroxypropyl and methyl groups, respectively. It has a role as an epitope. It is a C-nitro compound, a member of imidazoles and a secondary alcohol.
Secnidazole is a second-generation 5-nitroimidazole antimicrobial agent. It is structurally related to other 5-nitroimidazoles, including [DB00916] and [DB00911], but displays improved oral absorption and a longer terminal elimination half-life than other drugs in this class. Secnidazole is selective against many anaerobic Gram-positive and Gram-negative bacteria as well as protozoa. Once it enters bacteria and parasites, secnidazole is activated by bacterial or parasitic enzymes to form a radical anion, thereby damaging and killing the target pathogen. Secnidazole has been available in many other countries in Europe, Asia, South America, and Africa for decades. In September 2017, FDA approved secnidazole under the market name Solosec for the treatment of trichomoniasis and bacterial vaginosis.
Secnidazole is a Nitroimidazole Antimicrobial.
Secnidazole is an orally available, broad spectrum antimicrobial agent used in the treatment of bacterial vaginosis. Secnidazole is a nitroimidazole similar to metronidazole but is used as a single dose and, unlike metronidazole, has not been linked to serum enzyme elevations during therapy or to cases of clinically apparent acute liver injury.

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Drug Indication
Secnidazole is indicated for treating trichomoniasis and bacterial vaginosis in patients 12 years of age and older. In other countries, it is also available as a combination product with other antibacterial drugs, such as [itraconazole].

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Mechanism of Action
Like other 5-nitroimidazole antimicrobials, the antimicrobial and antiprotozoal activity of secnidazole is accounted for by the nitro group in the imidazole ring. Upon entering the target pathogen, the nitro group of secnidazole is reduced by bacterial or parasitic nitroreductase enzymes, producing radical anions and reactive intermediates. Radical anions and reactive intermediates cause the depletion of thiols, DNA helix damage, disruption of bacterial or parasitic protein synthesis and replication, and ultimately, cell death of susceptible isolates of Gram positive bacteria, Gram negative bacteria and _T. vaginalis_.

C7H11N3O3

185.18

185.08

3366-95-8

Secnidazole hemihydrate;227622-73-3;Secnidazole-d6;1346603-27-7;Secnidazole-13C2, 15N2;Secnidazole-d4

71815

White to off-white solid powder

1.4±0.1 g/cm3

396.1±22.0 °C at 760 mmHg

76ºC

193.4±22.3 °C

0.0±1.0 mmHg at 25°C

1.598

0.33

83.87

1

4

2

13

194

0

OC(C)CN1C([N+]([O-])=O)=CN=C1C

KPQZUUQMTUIKBP-UHFFFAOYSA-N

InChI=1S/C7H11N3O3/c1-5(11)4-9-6(2)8-3-7(9)10(12)13/h3,5,11H,4H2,1-2H3

1-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol

SYM 1219 SYM1219 SYM-1219PM 185184, RP 14539 PM185184, RP14539 PM-185184, RP-14539

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)

DMSO : ≥ 30 mg/mL (~162.00 mM)
H2O : ~25 mg/mL (~135.00 mM)

配方 1 中的溶解度: 50 mg/mL (270.01 mM) in PBS (这些助溶剂从左到右依次添加，逐一添加), 澄清溶液; 超声助溶。

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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。