Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | C21H25N7O6.2Na |
| Molecular Weight | 517.446 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].CN1C(CCNC2=CC=C(C=C2)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)CNC3=C1C(=O)N=C(N)N3
InChI
InChIKey=PASPSZYIMAFFFK-HNYZGNTBSA-L
InChI=1S/C21H27N7O6.2Na/c1-28-13(10-24-17-16(28)19(32)27-21(22)26-17)8-9-23-12-4-2-11(3-5-12)18(31)25-14(20(33)34)6-7-15(29)30;;/h2-5,13-14,23H,6-10H2,1H3,(H,25,31)(H,29,30)(H,33,34)(H4,22,24,26,27,32);;/q;2*+1/p-2/t13?,14-;;/m0../s1
| Molecular Formula | Na |
| Molecular Weight | 22.98976928 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C21H25N7O6 |
| Molecular Weight | 471.4665 |
| Charge | -2 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
KETOTREXATE is an antifolate developed to overcome methotrexate (MTX) resistance. However, it demonstrated such potential only in MTX-resistant sensitive L1210/FR8 leukemia cells and its clinical development was discontinued. Unlike MTX, KETOTREXATE exhibited minimal inhibition of purified dihydrofolate reductase, which implies that it does not act as a classical antifolate.
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 17:56:15 GMT 2025
by
admin
on
Mon Mar 31 17:56:15 GMT 2025
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| Record UNII |
129MT3SP3E
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| Record Status |
Validated (UNII)
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| Record Version |
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129MT3SP3E
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139490
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52386-42-2
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135475347
Created by
admin on Mon Mar 31 17:56:15 GMT 2025 , Edited by admin on Mon Mar 31 17:56:15 GMT 2025
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| Related Record | Type | Details | ||
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