Methotrexate α-tert-butyl ester
Modify Date: 2025-08-26 13:38:58
Methotrexate α-tert-butyl ester structure
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Common Name | Methotrexate α-tert-butyl ester | ||
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| CAS Number | 79640-70-3 | Molecular Weight | 510.54600 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C24H30N8O5 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Use of Methotrexate α-tert-butyl esterMethotrexate α-tert-butyl ester, capped by OtBu, significantly reduces tumor growth in HT1080 tumor bearing mice. Methotrexate is an antimetabolite and antifolate agent and is also an immunosuppressant and antineoplastic agent[1][2][3][4]. |
| Name | α-OtBu-MTX |
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| Synonym | More Synonyms |
| Description | Methotrexate α-tert-butyl ester, capped by OtBu, significantly reduces tumor growth in HT1080 tumor bearing mice. Methotrexate is an antimetabolite and antifolate agent and is also an immunosuppressant and antineoplastic agent[1][2][3][4]. |
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| Related Catalog | |
| In Vitro | OtBu-MTX-PVG is less HT1080 than MTX-PVG against HT1080 cells. It shows that protection of the α-carboxyl group of MTX results in reduced in vitro activity[1]. |
| In Vivo | Lys-MTXcleavable- (OtBu) significantly reduces tumor growth in HT1080 tumor bearing mice[1]. The protection of the α-carboxyl group of methotrexate may be used to improve the circulatory half-life and reduce the liver accumulation of similar MTX-conjugated dendrimers, while still retaining antitumor activity in vivo[1]. Animal Model: Female, Balb/c nu/nu, 6 weeks (bearing HT1080 cells)[1] Dosage: 30 mg/kg Administration: Once per week for 2 weeks Result: Showed a significant (63%) reduction in tumor size on day 12. |
| References |
[3]. Swierkot J, et al. Methotrexate in rheumatoid arthritis. Pharmacol Rep. 2006 Jul-Aug;58(4):473-92. |
| Molecular Formula | C24H30N8O5 |
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| Molecular Weight | 510.54600 |
| Exact Mass | 510.23400 |
| PSA | 199.54000 |
| LogP | 3.07880 |
| InChIKey | HTMMDBDGHQUHPW-INIZCTEOSA-N |
| SMILES | CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)OC(C)(C)C)cc1 |
| (S)-2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid 1-tert-butyl ester |
| methotrexate-α-tert-butylester |
| methotrexate-α-OtBu |
| methotrexate |
| methotrexate α-tert-butyl ester |
| α-tert-butyl-N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamate |
| MTX-α-OtBu |