Account Dacomitinib metabolite M2
- Catalog No. :
- ACJJTN561
- CAS No. :
- 1262034-38-7
- Molecular Formula :
- C27H32ClFN6O4S
- Molecular Weight :
- 591.11
IUPAC Name:S-(4-((4-((3-chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)amino)-4-oxo-1-(piperidin-1-yl)butan-2-yl)-L-cysteine
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Product Information
| Product Name | Dacomitinib metabolite M2 |
|---|---|
| IUPAC Name | S-(4-((4-((3-chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)amino)-4-oxo-1-(piperidin-1-yl)butan-2-yl)-L-cysteine |
| Molecular Formula | C27H32ClFN6O4S |
| Molecular Weight | 591.11 |
| SMILES | N[C@@H](CSC(CC(NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OC)=O)CN4CCCCC4)C(O)=O |
| InChI Key | JACXJKYDLZNKQS-LFABVHOISA-N |
| Synonym | L-Cysteine, S-[3-[[4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]amino]-3-oxo-1-(1-piperidinylmethyl)propyl]-;Dacomitinib cysteine conjugate;Dacomitinib metabolite M2;UNII-SOA52D3NLL |
| CAS No. | 1262034-38-7 |
Synthetic Route by SureRoute
2. ACJJTN561 Molecular Building Block Synthetic Route
(E)-N-(4-((3-Chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)-4-(piperidin-1-yl)but-2-enamide
(E)-N-(4-((3-Chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)-4-(piperidin-1-yl)but-2-enamide hydrate
N-(4-((3-Chloro-4-fluorophenyl)amino)-7-(((S)-tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)-4-(dimethylamino)-3-hydroxybutanamide