| Field | Specification |
|---|---|
| Alternative names | CI-898 glucuronate |
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C25H33N5O10 |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
Trimetrexate glucuronate, also known as NSC 352122 or CI-898 glucuronate, is a folic acid antagonist that affects DNA and RNA synthesis by inhibiting dihydrofolate reductase and blocking the synthesis of purine nucleotides and thymidylate. It has potential antitumor activity and can also be used to inhibit Pneumocystis carinii pneumonia[1][2]. It is supplied as an off-white to light yellow solid (C25H33N5O10, MW 563.56) at 98.09% purity.
Physical & Chemical Properties
| CAS Number | 82952-64-5 |
|---|---|
| Molecular Formula | C25H33N5O10 |
| Molecular Weight | 563.56 g/mol |
| Purity | 98.09% |
| Appearance | Solid |
| Color | Off-white to light yellow |
| SMILES | O=C[C@@H]([C@H]([C@@H]([C@@H](C(O)=O)O)O)O)O.NC1=NC(N)=C2C(C)=C(CNC3=CC(OC)=C(OC)C(OC)=C3)C=CC2=N1 |
| Signaling Pathway | Cell Cycle/DNA Damage; Anti-infection |
| Solubility | In Vitro: DMSO: 100 mg/mL (177.44 mM; Requires sonication; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO) |
| Storage | 4°C, sealed storage, away from moisture. In solvent: -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture). |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Literature Cited
Sources cited in this description and in the In Vitro & In Vivo Data tab. Peer-reviewed publications that used this product are listed under References.
Safety
For Research Use Only. Not for use in diagnostic or therapeutic procedures, and not for human or veterinary use. Handle in accordance with the Safety Data Sheet and your institution's chemical hygiene plan.
In Vitro
| Solvent | Solubility | Notes |
|---|---|---|
| DMSO | 100 mg/mL (177.44 mM) | requires sonication; use freshly opened DMSO (absorbed moisture lowers solubility) |
Aliquot the stock solution and store it at -80°C (up to 6 months) or -20°C (up to 1 month); sealed storage, away from moisture; avoid repeated freeze-thaw cycles.
In Vivo
Choose the formulation that suits the animal model and route of administration; percentages are volume ratios of the final working solution. Start from a clear DMSO stock (see In Vitro above), add the co-solvents one at a time in the order listed, mixing after each addition, and prepare the working solution fresh on the day of dosing. If precipitation or phase separation occurs, gentle warming or sonication can help.
Protocol 1
| Composition | 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% saline |
|---|---|
| Result | 2.5 mg/mL (4.44 mM); clear solution; requires sonication |
| How to prepare | Gives a clear solution at 2.5 mg/mL. For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 400 μL PEG300; then 50 μL Tween-80; then 450 μL saline to bring the volume to 1 mL. Saline: dissolve 0.9 g sodium chloride in ddH2O and make up to 100 mL. |
Protocol 2
| Composition | 10% DMSO + 90% (20% SBE-β-CD in saline) |
|---|---|
| Result | 2.5 mg/mL (4.44 mM); clear solution; requires sonication |
| How to prepare | Gives a clear solution at 2.5 mg/mL. For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 900 μL 20% SBE-β-CD in saline. 20% SBE-β-CD in saline: dissolve 2 g SBE-β-CD powder in 10 mL saline until clear (4°C, store up to one week). |
Protocol 3
| Composition | 10% DMSO + 90% Corn Oil |
|---|---|
| Result | 2.5 mg/mL (4.44 mM); clear solution; requires sonication |
| How to prepare | Gives a clear solution at 2.5 mg/mL. Use with caution if continuous dosing will exceed two weeks. For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 900 μL corn oil. |
Direct preparation of the working solution
These formulations are prepared directly, without a DMSO stock; use them promptly after preparation.
Protocol 4
| Composition | 50% PEG300 + 50% saline |
|---|---|
| Result | 4 mg/mL (7.10 mM); clear solution; requires sonication |
Data provided by the manufacturer.
In Vitro
In WI-L2 human lymphoblastoid cells, Trimetrexate glucuronate (0.05-1 μM, 6 h) lowers adenosine and guanosine acids and significantly raises pyrimidine nucleotides such as CTP and UTP, in a dose-dependent manner[1]. In L1210 mouse leukemia cells, Trimetrexate glucuronate (1 μM, 2 h) can lower the level of dTTP by 29% and also reduces dGTP and dATP, while causing extensive inhibition of deoxyuridine incorporation into DNA[1].
In Vivo
In inbred DBA/2 mice with L1210 leukemia, Trimetrexate glucuronate (i.p., 100-225 mg/kg, daily, day 1, 5, 9) shows antitumor activity[1].
| Animal Model | Inbred DBA/2 mice with L1210 leukemia[1] |
|---|---|
| Dosage | 100, 150, 225 mg/kg |
| Administration | Intraperitoneal injection; daily; day 1, 5, 9 |
| Result | Showed the maximum lifespan T/C value of 171%. |
| Animal Model | C57BL/6 mice with M5076 tumor[1] |
|---|---|
| Dosage | 38, 62 mg/kg |
| Administration | Intraperitoneal injection; daily; 1-9 days |
| Result | Showed toxic (>10% early deaths) at high dose of 62 mg/kg and inactive (Lifespan T/C <130%) at lower dose of 38 mg/kg. |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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