Account Bromodomain inhibitor-12 (edisylate)
- Catalog No. :
- ACLTRE856
- CAS No. :
- 2010124-27-1
- Molecular Formula :
- C30H42N4O10S2
- Molecular Weight :
- 682.82
IUPAC Name:2-((((2R,3S)-3-(((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-5-yl)methyl)amino)-4-isopropoxy-4-oxobutan-2-yl)oxy)sulfonyl)ethane-1-sulfonic acid
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Product Information
| Product Name | Bromodomain inhibitor-12 (edisylate) |
|---|---|
| IUPAC Name | 2-((((2R,3S)-3-(((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-5-yl)methyl)amino)-4-isopropoxy-4-oxobutan-2-yl)oxy)sulfonyl)ethane-1-sulfonic acid |
| Molecular Formula | C30H42N4O10S2 |
| Molecular Weight | 682.82 |
| SMILES | C[C@@H](OS(CCS(=O)(O)=O)(=O)=O)[C@@H](C(OC(C)C)=O)NCC1=CC=C2N(CC3CCOCC3)C(C(C=C4C)=CN(C)C4=O)=NC2=C1 |
| InChI Key | NJFWLCQQTFSXNJ-ZBLYBZFDSA-N |
| Synonym | Bromodomain inhibitor-12 (edisylate);L-Threonine, N-[[2-(1,6-dihydro-1,5-dimethyl-6-oxo-3-pyridinyl)-1-[(tetrahydro-2H-pyran-4-yl)methyl]-1H-benzimidazol-5-yl]methyl]-, 1-methylethyl ester, 1,2-ethanedisulfonate (1:1) |
| CAS No. | 2010124-27-1 |
Synthetic Route by SureRoute
2. ACLTRE856 Molecular Building Block Synthetic Route
Bromodomain inhibitor-12
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
![(1R)-1-[(1R)-1-[Bis[3,5-bis(trifluoromethyl)phenyl]phosphino]ethyl]-2-[2-[bis(4-methoxy-3,5-dimethylphenyl)phosphino]phenyl]Ferrocene structure diagram](https://xchemchain-prod-1253699568.cos.ap-guangzhou.myqcloud.com/production/attachments/2026/07/22/i33a/494227-30-4.png?X-Amz-Algorithm=AWS4-HMAC-SHA256&X-Amz-Credential=AKIDT0SoARehYSEnT2RxQiomY7TcckkZDlIx%2F20260801%2Fap-guangzhou%2Fs3%2Faws4_request&X-Amz-Date=20260801T112621Z&X-Amz-Expires=86400&X-Amz-SignedHeaders=host&response-content-disposition=attachment%3B%20filename%3D%22494227-30-4.png%22&x-id=GetObject&X-Amz-Signature=9b1102920c4351b3442bf3829e1a7d5478089dfa4e95e45f2e53e2173387c59c)
(1R)-1-[(1R)-1-[Bis[3,5-bis(trifluoromethyl)phenyl]phosphino]ethyl]-2-[2-[bis(4-methoxy-3,5-dimethylphenyl)phosphino]phenyl]Ferrocene
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