| Identification | Back Directory | [Name]
Methotrexate α-tert-Butyl Ester | [CAS]
79640-70-3 | [Synonyms]
Methotrexate α-tert-Butyl Ester
(S)-5-(tert-butoxy)-4-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)-5-oxopentanoic acid
L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, 1-(1,1-dimethylethyl) ester | [Molecular Formula]
C24H30N8O5 | [MDL Number]
MFCD32868559 | [MOL File]
79640-70-3.mol | [Molecular Weight]
510.55 |
| Chemical Properties | Back Directory | [Melting point ]
>211°C (dec.) | [density ]
1.377±0.06 g/cm3(Predicted) | [storage temp. ]
-20°C Freezer | [solubility ]
Aqueous Base (Slightly), DMSO (Slightly), Methanol (Slightly, Heated) | [form ]
Solid | [pka]
4.43±0.10(Predicted) | [color ]
Pale Yellow to Orange | [InChIKey]
HTMMDBDGHQUHPW-INIZCTEOSA-N | [SMILES]
NC1=NC(=NC2N=CC(=NC=21)CN(C1C=CC(=CC=1)C(=O)N[C@@H](CCC(=O)O)C(=O)OC(C)(C)C)C)N |
| Hazard Information | Back Directory | [Uses]
Methotrexate α-tert-Butyl Ester is an intermediate to the synthesis of folic acid antagonist Methotrexate (M260675) used in the study of membrane-associated folate transporters from L1210 cells. | [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.
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