Introduction：Basic information about CAS 5939-37-7|7-Hydroxymethotrexate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 7-Hydroxymethotrexate |
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| CAS Number | 5939-37-7 | Molecular Weight | 470.43900 |
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| Density | 1.68g/cm3 | Boiling Point | / |
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| Molecular Formula | C20H22N8O6 | Melting Point | 230ºC dec. |
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| MSDS | / | Flash Point | / |
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Names
| Name | 7-Hydroxy Methotrexate |
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| Synonym | More Synonyms |
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7-Hydroxymethotrexate BiologicalActivity
| Description | 7-Hydroxymethotrexate is a major metabolite of Methotrexate (MTX; HY-14519). Methotrexate, an antimetabolite and antifolate agent, inhibits the enzyme dihydrofolate reductase, thereby preventing the conversion of folic acid into tetrahydrofolate, and inhibiting DNA synthesis[1][2]. |
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| Related Catalog | Research Areas >>CancerResearch Areas >>Inflammation/Immunology |
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| In Vitro | 7-Hydroxymethotrexate (7-OHMTX) has the affinity of DHFR markedly lower (>100-fold) than for Methotrexate (MTX) [1]. |
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| In Vivo | 7-Hydroxymethotrexate (4 mg/kg; IV) has a terminal half-life of 97.2 min and a total clearance value of 9.6 mL/min•mg[1]. Animal Model: Male Wistar rats (270-440 g)[1] Dosage: 4 mg/kg (Pharmacokinetic Analysis) Administration: IV Result: Had a terminal half-life of 97.2 min and a total clearance value of 9.6 mL/min•mg. |
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| References | [1]. L Fahrig, et al. Pharmacokinetics of methotrexate (MTX) and 7-hydroxymethotrexate (7-OH-MTX) in rats and evidence for the metabolism of MTX to 7-OH-MTX. Cancer Chemother Pharmacol. 1989;23(3):156-60. [2]. Ping Guo, et al. Determination of methotrexate and its major metabolite 7-hydroxymethotrexate in mouse plasma and brain tissue by liquid chromatography-tandem mass spectrometry. J Pharm Biomed Anal. 2007 Apr 11;43(5):1789-95. |
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Chemical & Physical Properties
| Density | 1.68g/cm3 |
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| Melting Point | 230ºC dec. |
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| Molecular Formula | C20H22N8O6 |
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| Molecular Weight | 470.43900 |
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| Exact Mass | 470.16600 |
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| PSA | 230.77000 |
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| LogP | 1.52730 |
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| Index of Refraction | 1.76 |
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| InChIKey | HODZDDDNGRLGSI-UHFFFAOYSA-N |
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| SMILES | CN(Cc1nc2c(N)nc(N)nc2[nH]c1=O)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- MA1000000
- CHEMICAL NAME :
- L-Glutamic acid, N-(4-(((2,4-diamino-1,7-dihydro-7-oxo-6-pteridinyl)me thyl)methylamino) benzoyl)-
- CAS REGISTRY NUMBER :
- 5939-37-7
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C20-H22-N8-O6
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 300 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CCPHDZ Cancer Chemotherapy and Pharmacology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1978- Volume(issue)/page/year: 37,415,1996
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Synonyms
