![6-Pteridinepropanoic acid, 2,4-diaMino-α-[4-(Methoxycarbonyl)phenyl]-α-2-propyn-1-yl-, Methyl ester structure, CAS 146464-91-7](/structures/210000/190499_2_146464_91_7.png)
CAS Number146464-91-7
Synonymsmethyl-4-(2-((2,4-diaminopteridin-6-yl)methyl)-1-methoxy-1-oxopent-4-yn-2-yl)benzoate; Pralatrexate; 6-Pteridinepropanoic acid,2,4-diaMino-a-[4-(Methoxycarbonyl)phenyl]-a-2-propynyl-,Methyl ester; QC-1531; 10-propargyl-10-carbomethoxy-4-deoxy-4-amino-10-deazapteroic acid methyl ester
Molecular FormulaC21H20N6O4
Molecular Weight420.42100
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 146464-91-7 |
| Catalog No. | 2A-2189111 |
| Chinese Name | methyl 4-[2-[(2,4-diaminopteridin-6-yl)methyl]-1-methoxy-1-oxopent-4-yn-2-yl]benzoate |
| Synonyms | methyl-4-(2-((2,4-diaminopteridin-6-yl)methyl)-1-methoxy-1-oxopent-4-yn-2-yl)benzoate; Pralatrexate; 6-Pteridinepropanoic acid,2,4-diaMino-a-[4-(Methoxycarbonyl)phenyl]-a-2-propynyl-,Methyl ester; QC-1531; 10-propargyl-10-carbomethoxy-4-deoxy-4-amino-10-deazapteroic acid methyl ester |
| Molecular Formula | C21H20N6O4 |
| Molecular Weight | 420.42100 |
| PubChem ID | 15954614 |
| SMILES | C#CCC(Cc1cnc2nc(N)nc(N)c2n1)(C(=O)OC)c1ccc(C(=O)OC)cc1 |
| InChI | InChI=1S/C21H20N6O4/c1-4-9-21(19(29)31-3,13-7-5-12(6-8-13)18(28)30-2)10-14-11-24-17-15(25-14)16(22)26-20(23)27-17/h1,5-8,11H,9-10H2,2-3H3,(H4,22,23,24,26,27) |
| InChI Key | DDPOXTVFAFZLJO-UHFFFAOYSA-N |
| Transport Info | Product name: 6-Pteridinepropanoiccid,2,4-diamino-α-[4-(methoxycarbonyl)phenyl]-α-2-propyn-1-yl-,methylester |
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