Account aTAG 4531
- Catalog No. :
- ACFACX693
- CAS No. :
- 2412985-00-1
- Molecular Formula :
- C46H39F2N9O7
- Molecular Weight :
- 867.87
IUPAC Name:N-cyclopropyl-6-(4-((4-(4-(((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)methyl)-1H-1,2,3-triazol-1-yl)butyl)carbamoyl)-3-fluorophenyl)-7-fluoro-4-(phenylamino)quinoline-3-carboxamide
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Product Information
| Product Name | aTAG 4531 |
|---|---|
| IUPAC Name | N-cyclopropyl-6-(4-((4-(4-(((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)methyl)-1H-1,2,3-triazol-1-yl)butyl)carbamoyl)-3-fluorophenyl)-7-fluoro-4-(phenylamino)quinoline-3-carboxamide |
| Molecular Formula | C46H39F2N9O7 |
| Molecular Weight | 867.87 |
| SMILES | O=C1CCC(N2C(=O)C3=C(C2=O)C(OCC2=CN(CCCCNC(=O)C4=CC=C(C5=CC6=C(C=C5F)N=CC(C(=O)NC5CC5)=C6NC5=CC=CC=C5)C=C4F)N=N2)=CC=C3)C(=O)N1 |
| InChI Key | BNHRIFMLKOQTPS-UHFFFAOYSA-N |
| Synonym | 3-Quinolinecarboxamide, N-cyclopropyl-6-[4-[[[4-[4-[[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]oxy]methyl]-1H-1,2,3-triazol-1-yl]butyl]amino]carbonyl]-3-fluorophenyl]-7-fluoro-4-(phenylamino)- |
| CAS No. | 2412985-00-1 |
Synthetic Route by SureRoute
2. ACFACX693 Molecular Building Block Synthetic Route
(R,R')-2,2''-Bis(diphenylphosphino)-1,1''-biferrocene
4-((2S)-2-((2S)-2-(6-(3-((3-(((3R,4R,5S,6R)-2-((26-((S)-10-benzyl-1-(((1S,9S)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl)amino)-1,6,9,12,15-pentaoxo-3-oxa-5,8,11,14-tetraazahexadecan-16-yl)-27-oxo-2,5,8,11,14,17,20,23-octaoxa-29-thia-26-azadotriacontan-32-yl)oxy)-3-(4-(24-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-3,19-dioxo-6,9,12,15-tetraoxa-2,18-diazatetracosyl)-1H-1,2,3-triazol-1-yl)-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl)oxy)propyl)thio)-2,5-dioxopyrrolidin-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl ((S)-1-(((S)-1-(((3R,4S,5S)-1-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)(methyl)carbamate
amido}(p-cymene)(pyridine)ruthenium(II) structure diagram](https://xchemchain-prod-1253699568.cos.ap-guangzhou.myqcloud.com/production/attachments/2026/07/22/q5nz/1192483-27-4.png?X-Amz-Algorithm=AWS4-HMAC-SHA256&X-Amz-Credential=AKIDT0SoARehYSEnT2RxQiomY7TcckkZDlIx%2F20260801%2Fap-guangzhou%2Fs3%2Faws4_request&X-Amz-Date=20260801T102719Z&X-Amz-Expires=86400&X-Amz-SignedHeaders=host&response-content-disposition=attachment%3B%20filename%3D%221192483-27-4.png%22&x-id=GetObject&X-Amz-Signature=4f59545543ff1e67cc1d1b16ce2472d1c4d9194069fb8b254b7863a46c57d3ee)
{[(1S,2S)-2-amino-1,2-diphenylethyl](4-toluenesulfonyl)amido}(p-cymene)(pyridine)ruthenium(II)
amido}(p-cymene)(pyridine)ruthenium(II) structure diagram](https://xchemchain-prod-1253699568.cos.ap-guangzhou.myqcloud.com/production/attachments/2026/07/22/ldoa/1192483-14-9.png?X-Amz-Algorithm=AWS4-HMAC-SHA256&X-Amz-Credential=AKIDT0SoARehYSEnT2RxQiomY7TcckkZDlIx%2F20260801%2Fap-guangzhou%2Fs3%2Faws4_request&X-Amz-Date=20260801T102718Z&X-Amz-Expires=86400&X-Amz-SignedHeaders=host&response-content-disposition=attachment%3B%20filename%3D%221192483-14-9.png%22&x-id=GetObject&X-Amz-Signature=97f10642712f9e2189d16ff72537ae89206920d7c50332f16ec0d6a6780e33db)