| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 100mg | |||
| Other Sizes |
| Targets |
LY-338979 is classified as a drug metabolite and is an impurity of pemetrexed. As an impurity, it does not have a primary therapeutic target but is relevant to the quality control of pemetrexed-containing pharmaceutical products.
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|---|---|
| ln Vitro |
The in vitro activity of LY-338979 is not well characterized as a standalone therapeutic agent. As an impurity of pemetrexed, it is typically quantified using analytical methods such as HPLC rather than being evaluated for biological activity. Its presence is monitored to ensure the purity and safety of pemetrexed drug products.
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| ln Vivo |
LY-338979 does not have established in vivo activity as a therapeutic agent. It is a degradation product or impurity of pemetrexed. Studies on this compound are primarily focused on its identification and quantification in pharmaceutical formulations rather than its pharmacological effects.
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| Enzyme Assay |
In vitro assays for LY-338979 are typically analytical rather than biological. High-performance liquid chromatography (HPLC) with UV detection or mass spectrometry is used to identify and quantify the impurity in pemetrexed samples. The compound serves as a reference standard for analytical method development and quality control testing.
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| Cell Assay |
LY-338979 is not typically used in cell-based assays as a therapeutic compound. Instead, it is used as a reference standard for analytical testing. Cell culture studies are not applicable for this impurity compound, as its primary role is in pharmaceutical quality control rather than biological evaluation.
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| Animal Protocol |
In vivo animal studies are not typically conducted with LY-338979 as a standalone test article. The compound is an impurity, and its relevance is in the context of pharmaceutical quality control. Toxicology studies of pemetrexed would have been conducted to assess the safety of the drug substance including its impurities.
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| ADME/Pharmacokinetics |
LY-338979 has a molecular formula of C20H21N5O7 and a molecular weight of 443.41. It is also known as Pemetrexed 6-oxo diacid impurity and LY338979. The compound has a CAS number of 193281-00-4. It should be stored at 4°C, protected from light.
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| Toxicity/Toxicokinetics |
As an impurity, the toxicity of LY-338979 is relevant to the safety profile of pemetrexed drug products. The impurity is controlled to specified limits in pharmaceutical formulations to ensure patient safety. The compound's toxicity would be assessed as part of the overall toxicological evaluation of pemetrexed.
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| Additional Infomation |
LY-338979 is a specified impurity of pemetrexed, a folate antimetabolite chemotherapy drug. It is used as a reference standard in analytical method development and quality control of pemetrexed-containing products. The compound is not a therapeutic agent itself but is important for pharmaceutical manufacturing and regulatory compliance.
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| Molecular Formula |
C20H21N5O7
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|---|---|
| Molecular Weight |
443.41
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| Exact Mass |
443.144
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| CAS # |
193281-00-4
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| PubChem CID |
135565729
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
0.886
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| Hydrogen Bond Donor Count |
6
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
32
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| Complexity |
889
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| Defined Atom Stereocenter Count |
1
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| SMILES |
C1=CC(=CC=C1CCC2C3=C(NC2=O)N=C(NC3=O)N)C(=O)NC(CCC(=O)O)C(=O)O
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| InChi Key |
YVRHJHKPTURIID-KIYNQFGBSA-N
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| InChi Code |
InChI=1S/C20H21N5O7/c21-20-24-15-14(18(30)25-20)11(17(29)23-15)6-3-9-1-4-10(5-2-9)16(28)22-12(19(31)32)7-8-13(26)27/h1-2,4-5,11-12H,3,6-8H2,(H,22,28)(H,26,27)(H,31,32)(H4,21,23,24,25,29,30)/t11?,12-/m0/s1
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| Chemical Name |
(2S)-2-[[4-[2-(2-amino-4,6-dioxo-5,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid
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| Synonyms |
LY338979; LY 338979; LY-338979
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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 | 2.2552 mL | 11.2762 mL | 22.5525 mL | |
| 5 mM | 0.4510 mL | 2.2552 mL | 4.5105 mL | |
| 10 mM | 0.2255 mL | 1.1276 mL | 2.2552 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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