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N-[(1S)-2,3-Dihydro-1H-inden-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
(S)-N-(1-Indanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine · (S)-N-(2,3-dihydro-1H-inden-1-yl)-7H-pyrrolo[2,3-d]pyriMidin-4-aMine · N-[(1S)-2,3-Dihydro-1H-inden-1-yl]-7H-pyrrolo[2,3-d]pyriMidin-4-aMine · N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1H-pyrrolo[2,3-d]pyriMidin-4-aMine · 7H-Pyrrolo[2,3-d]pyrimidin-4-amine, N-[(1S)-2,3-dihydro-1H-inden-1-yl]-
![Molekülstruktur von N-[(1S)-2,3-Dihydro-1H-inden-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine](/img/chemical/58944690.png)
Identifikatoren & physikalische Daten
| CAS No. | 905580-86-1 |
|---|---|
| Summenformel | C15H14N4 |
| Durchschnittliche Molmasse | 250,3 g/mol |
| Monoisotopische Masse | 250,12184646 g/mol |
| SMILES | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2[nH]ccc12 |
| InChIKey | UVNSDOGOYDQGLY-ZDUSSCGKSA-N |
| PubChem CID | 58944690 |
| ChEMBL | CHEMBL6188784 |
| DTXSID | DTXSID80730671 |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 53,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 321 |
| Schmelzpunkt | 151-152oC |
| Lagerbedingungen | -20°C Freezer |
| Löslichkeit | Dichloromethane (Slightly), DMSO (Slightly), Methanol (Slgihtly) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
Anwendungen & Verwendung
Verwenden
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1H-pyrrolo[2,3-d]pyriMidin-4-aMine is used in the preparation of nucleoside derivatives as antitumor agents, E1 activating enzymes and MLN4924, an inhibitor of NEDD8-activating enzyme.