HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-(4-(((2,4-Diamino-6-pteridinyl)methyl)amino)benzoyl)glutamic acid
N-[4-[[(2,4-DiaMino-6-pteridinyl)Methyl]aMino]benzoyl]glutaMic Acid · Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-
Identifikatoren & physikalische Daten
| CAS No. | 1236566-87-2 |
|---|---|
| Summenformel | C19H20N8O5 |
| Durchschnittliche Molmasse | 440,4 g/mol |
| Monoisotopische Masse | 440,15566577 g/mol |
| SMILES | Nc1nc(N)c2nc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2n1 |
| InChIKey | TVZGACDUOSZQKY-UHFFFAOYSA-N |
| PubChem CID | 2154 |
| DTXSID | DTXSID10858993 |
Chemische & physikalische Eigenschaften
| XLogP | -2 |
|---|---|
| Polarare Oberfläche (TPSA) | 219 |
| H-Brücken-Donoren | 6 |
| H-Brücken-Akzeptoren | 12 |
| Frei drehbare Bindungen | 9 |
| Schwere Atome | 32 |
| Formalladung | 0 |
| Komplexität | 674 |
| Physical Description | Solid |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Methanol |
| Aggregatzustand | Solid |
| Farbe | Yellow |
Sicherheit & Vorschriften
| Toxizitätsübersicht | Aminopterin is an amino derivative of folic acid which binds competitively to the dihydrofolate reductase enzyme to block tetrahydrofolate synthesis. Tetrahydrofolate is essential in the production of purines and pyrimadines, thus it's deficiency results in a reduction of DNA, RNA and protein synthesis. |
|---|---|
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
Anwendungen & Verwendung
Verwenden
N-[4-[[(2,4-Diamino-6-pteridinyl)methyl]amino]benzoyl]glutamic Acid is an intermediate in the synthesis of Methotrexate (M260675), a folic acid antagonist, used as a antineoplastic and antirheumatic.