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| Targets |
1'-epi Gemcitabine hydrochloride does not have a specific biological target of its own, as it is the inactive isomer of gemcitabine. The active compound, gemcitabine, is a nucleoside analog that inhibits DNA synthesis and repair, leading to autophagy and apoptosis in cancer cells. The inactive isomer is used as an experimental control to differentiate between the pharmacological effects of the active gemcitabine and non-specific effects. It is not intended to interact with biological targets in the same manner as the active compound.
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| ln Vitro |
1'-epi Gemcitabine hydrochloride itself is not evaluated for in vitro biological activity, as it serves as an inactive control compound. Its "activity" is defined by its lack of pharmacological effect compared to the active gemcitabine. In research settings, it is used to establish baseline responses and to control for non-specific effects in cellular assays. The compound is not intended to produce any therapeutic or biological effect in experimental systems.
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| ln Vivo |
1'-epi Gemcitabine hydrochloride is not administered as a therapeutic agent in vivo. Its primary application is as a reference standard and experimental control in laboratory research. Any in vivo effects observed with this compound would be considered non-specific and would be used to calibrate the specific effects of the active gemcitabine. It is not used in animal models as an active treatment for any disease indication.
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| Enzyme Assay |
As an analytical standard, 1'-epi Gemcitabine hydrochloride is not subjected to typical enzyme or receptor binding assays. Its performance is assessed by its purity and its ability to serve as a reliable reference in analytical method development. The compound is characterized by techniques such as High-Performance Liquid Chromatography (HPLC) and Nuclear Magnetic Resonance (NMR) spectroscopy to confirm its identity and purity. It is used for method validation (AMV) and Quality Controlled (QC) applications.
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| Cell Assay |
1'-epi Gemcitabine hydrochloride is not used in standard cell culture for pharmacological studies as an active compound. Instead, it is employed as a control in experiments where the effects of gemcitabine are being studied. Cells are treated with both the active gemcitabine and the inactive 1'-epi isomer to distinguish specific pharmacological effects from non-specific cellular responses. The compound itself does not induce the DNA synthesis inhibition, autophagy, or apoptosis characteristic of gemcitabine.
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| Animal Protocol |
Animal studies are not conducted with 1'-epi Gemcitabine hydrochloride as an active compound. It is not administered to animals for therapeutic or investigative purposes. The compound is strictly a laboratory reagent used for analytical and quality control applications. Any in vivo studies involving gemcitabine would utilize the active form of the drug, not the inactive 1'-epi isomer.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not relevant for 1'-epi Gemcitabine hydrochloride, as it is not a therapeutic agent. Its chemical properties include a molecular weight of 299.69 g/mol (free base) and a molecular formula of C9H12ClF2N3O4. The compound appears as a white to off-white solid and is typically stored at -20°C for long-term stability. It is soluble in DMSO and water. As an analytical standard, its stability and solubility are well-characterized for laboratory use.
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| Toxicity/Toxicokinetics |
Toxicological data for 1'-epi Gemcitabine hydrochloride are not extensively detailed, as it is an inactive isomer and research compound. It is not intended for human or veterinary use. Standard laboratory safety precautions, including the use of personal protective equipment (PPE), should be followed when handling the compound. Its safety profile is not a primary focus, as it is used only in controlled research environments.
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| References |
[1]. Yip-Schneider MT, et al. Dimethylaminoparthenolide and Gemcitabine: a survival study using a genetically engineered mouse model of pancreatic cancer. BMC Cancer. 2013 Apr 17;13:194.
[2]. Lou M, et al. Physical interaction between human ribonucleotide reductase large subunit and thioredoxin increases colorectal cancer malignancy. J Biol Chem. 2017 Jun 2;292(22):9136-9149. [3]. Gagnadoux F, et al. Safety of pulmonary administration of gemcitabine in rats. J Aerosol Med. 2005 Summer;18(2):198-206 [4]. Wang H, et al. Enhanced efficacy of Gemcitabine by indole-3-carbinol in pancreatic cell lines: the role of human equilibrativenucleoside transporter 1. Anticancer Res. 2011 Oct;31(10):3171-80 |
| Additional Infomation |
1'-epi Gemcitabine hydrochloride is a research-grade compound used as an inactive isomer control for gemcitabine studies. It is available as a high-purity reference standard for analytical method development and quality control applications. The compound is not approved for clinical use and is strictly for laboratory research. Its primary value lies in its ability to serve as a negative control in experiments investigating the mechanisms and efficacy of gemcitabine, a widely used chemotherapy drug for cancers including pancreatic, breast, and non-small cell lung cancer.
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| Molecular Formula |
C9H12CLF2N3O4
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|---|---|
| Molecular Weight |
299.66
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| Exact Mass |
299.048
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| CAS # |
122111-05-1
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| Related CAS # |
Gemcitabine hydrochloride;122111-03-9;(2S)-Gemcitabine-13C,15N2 hydrochloride;1262897-74-4
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| PubChem CID |
117072635
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| Appearance |
Colorless to light yellow liquid
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| LogP |
0.094
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
19
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| Complexity |
426
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| Defined Atom Stereocenter Count |
3
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| SMILES |
Cl.OC[C@H]1O[C@H](N2C=CC(N)=NC2=O)C(F)(F)[C@H]1O
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| InChi Key |
OKKDEIYWILRZIA-ZWKSQQCZSA-N
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| InChi Code |
InChI=1S/C9H11F2N3O4.ClH/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17;/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17);1H/t4-,6-,7+;/m1./s1
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| Chemical Name |
4-amino-1-[(2S,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
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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| Solubility (In Vitro) |
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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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.3371 mL | 16.6856 mL | 33.3712 mL | |
| 5 mM | 0.6674 mL | 3.3371 mL | 6.6742 mL | |
| 10 mM | 0.3337 mL | 1.6686 mL | 3.3371 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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