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3,3'-(3,7,12,17-Tetramethyl-8,13-divinylporphin-2,18-diyl)di(propionsure)
PPIX · PROTOPORPHYRIN · ZINC PROTOPORPHYRIN · ZINC PROTOPORPHYRIN IX · ZINC PROTOPORPHYRIN-9 · 2,18-Porphinedipropionic acid, 3,8,13,17-tetramethyl-7,12-divinyl- · ZNPP-9 · 185646
Identifikatoren & physikalische Daten
| CAS No. | 553-12-8 |
|---|---|
| Summenformel | C34H34N4O4 |
| Durchschnittliche Molmasse | 562,7 g/mol |
| Monoisotopische Masse | 562,25800558 g/mol |
| SMILES | C=Cc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3C=C |
| InChIKey | ZCFFYALKHPIRKJ-UHFFFAOYSA-N |
| PubChem CID | 4971 |
| ChEMBL | CHEMBL1618319 |
| ChEBI | CHEBI:15430 |
| Lokaler Name | 3,3'-(3,7,12,17-Tetramethyl-8,13-divinylporphin-2,18-diyl)di(propionsure) |
Chemische & physikalische Eigenschaften
| XLogP | 4,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 132 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 42 |
| Formalladung | 0 |
| Komplexität | 1.010 |
| Collision Cross Section | 241.4 Ų [M+H]+ [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]241.3 Ų [M+H]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]238.8 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Schmelzpunkt | >300 °C(Solv: acetone (67-64-1)) |
| Siedepunkt | 629.06°C (rough estimate) |
| Dichte | 1.1829 (rough estimate) |
| Brechungsindex | 1.6000 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO (Slightly)106.9mg/L(25 ºC) |
| Aggregatzustand | Powder |
| Farbe | purple |
| Merck | 13,7990 |
| BRN | 380795 |
| Stabilität | Light Sensitive |
| InChIKey | FEDYMSUPMFCVOD-UJJXFSCMSA-N |
| SMILES | Cc1c(CCC(O)=O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O |
| CAS Datenbank | 553-12-8 |
| NIST chemische Informationen | Protoporphyrin-1x(553-12-8) |
| EPA chemische Informationen | Protoporphyrin IX (553-12-8) |
Sicherheit & Vorschriften
| F | 8-10-23 |
|---|---|
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Protoporphyrin IX has been used:as a standard in protoporphyrin assaysin fluorescence spectra analysisto treat cells in cell culture to study heme-mediated ferroportin 1 transcription