Account MC-Sq-Cit-PAB-Gefitinib
- Catalog No. :
- ACQOZJ838
- CAS No. :
- 1941168-63-3
- Molecular Formula :
- C50H61ClFN10O9+
- Molecular Weight :
- 1000.55
IUPAC Name:(S)-4-((3-chloro-4-fluorophenyl)amino)-1-(4-(2-(1-((5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)pentyl)carbamoyl)cyclobutane-1-carboxamido)-5-ureidopentanamido)benzyl)-7-methoxy-6-(3-morpholinopropoxy)quinazolin-1-ium
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Product Information
| Product Name | MC-Sq-Cit-PAB-Gefitinib |
|---|---|
| IUPAC Name | (S)-4-((3-chloro-4-fluorophenyl)amino)-1-(4-(2-(1-((5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)pentyl)carbamoyl)cyclobutane-1-carboxamido)-5-ureidopentanamido)benzyl)-7-methoxy-6-(3-morpholinopropoxy)quinazolin-1-ium |
| Molecular Formula | C50H61ClFN10O9+ |
| Molecular Weight | 1000.55 |
| SMILES | COC1=CC2=[N+](C=NC(NC3=CC=C(C(Cl)=C3)F)=C2C=C1OCCCN4CCOCC4)CC5=CC=C(C=C5)NC([C@H](CCCNC(N)=O)NC(C6(CCC6)C(NCCCCCN7C(C=CC7=O)=O)=O)=O)=O |
| InChI Key | REJVAWZXGMNZAU-KDXMTYKHSA-O |
| Synonym | MC-Sq-Cit-PAB-Gefitinib |
| CAS No. | 1941168-63-3 |
Synthetic Route by SureRoute
2. ACQOZJ838 Molecular Building Block Synthetic Route
Mc-Val-Cit-PAB-Gefitinib
(2S,4R)-1-((S)-2-(2-(2-(2-(4-(5-((4-((3-Chloro-4-fluorophenyl)amino)-6-((E)-4-(piperidin-1-yl)but-2-enamido)quinazolin-7-yl)oxy)pentyl)-1H-1,2,3-triazol-1-yl)ethoxy)ethoxy)acetamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
(2S,4R)-1-((S)-2-(11-(4-(3-((4-((3-Chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)oxy)propyl)piperazin-1-yl)-11-oxoundecanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide