HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Ro 40-6055
cd336 · AM 580 · CS-1051 · l)amino- · ro40-6055 · MCE AM580 · NSC 608001 · AM580 (CD336)
Identifikatoren & physikalische Daten
| CAS No. | 102121-60-8 |
|---|---|
| Summenformel | C22H25NO3 |
| Durchschnittliche Molmasse | 351,4 g/mol |
| Monoisotopische Masse | 351,18344366 g/mol |
| SMILES | CC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)ccc21 |
| InChIKey | SZWKGOZKRMMLAJ-UHFFFAOYSA-N |
| PubChem CID | 2126 |
| ChEMBL | CHEMBL69367 |
| ChEBI | CHEBI:64210 |
| DTXSID | DTXSID5040758 |
Chemische & physikalische Eigenschaften
| XLogP | 5,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,4 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 26 |
| Formalladung | 0 |
| Komplexität | 546 |
| Collision Cross Section | 198.2 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID5040758] |
| Schmelzpunkt | 265-267℃ |
| Siedepunkt | 485.24°C (rough estimate) |
| Dichte | 1.154 |
| Brechungsindex | 1.5614 (estimate) |
| Lagerbedingungen | -20°C |
| Löslichkeit | Soluble in DMSO (20mg/ml) or ethanol (10mg/ml). |
| Aggregatzustand | White to off-white solid. |
| pKa (Säurekonstante) | 4.28±0.10(Predicted) |
| Farbe | Off-white |
| Stabilität | Stable for 2 years from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 3 months. |
| InChI | 1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-15(7-10-17(18)21)19(24)23-16-8-5-14(6-9-16)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26) |
| InChIKey | SZWKGOZKRMMLAJ-UHFFFAOYSA-N |
| SMILES | CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc3ccc(cc3)C(O)=O |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| Zollcode | 2924.29.7790 |
| RTECS-Nr. | DH6834890 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Retinoid derivative used for gene expression studies of leukemia-retinoic acid receptor (PHL-RAR) cell line differentiation. AM 580 inhibits tumor proliferation by reducing the level of RARγ and activates RAR β. This receptor increases the expression of disintegrin and metalloprotease.