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View larger JWG-071
AOB36251
CAS: 2250323-50-1
Chemical Name: 11-(sec-Butyl)-2-((2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl)phenyl)amino)-5-methyl-5,11-dihydro-6H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6-one
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| Quantity | mg | Unit Price ($/mg or $/Unit) | Final Price |
|---|---|---|---|
| 1 | 5 | $14.45 | Total: $72.25 |
| 1 | 10 | $12.24 | Total: $122.40 |
| 1 | 25 | $10.37 | Total: $259.25 |
| 1 | 50 | $8.84 | Total: $442.00 |
| 1 | 100 | $7.65 | Total: $765.00 |
Data sheet
| Molecular Formula | C34H44N8O3 |
| Molecular Weight | 612.78 |
| CAS Numbers | 2250323-50-1 |
| Storage Condition | 0°C (short term), -20°C (long term), desiccated |
| Solubility | DMSO |
| Purity | 98% by HPLC |
| Synonym | JWG071; JWG 071; JWG-071 |
| IUPAC/Chemical Name | 11-(sec-Butyl)-2-((2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl)phenyl)amino)-5-methyl-5,11-dihydro-6H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6-one |
| InChl Key | ACWOMSOYIIVIRV-UHFFFAOYSA-N |
| InChl Code | InChI=1S/C34H44N8O3/c1-6-23(2)42-28-10-8-7-9-26(28)33(44)39(4)29-22-35-34(37-31(29)42)36-27-12-11-24(21-30(27)45-5)32(43)41-15-13-25(14-16-41)40-19-17-38(3)18-20-40/h7-12,21-23,25H,6,13-20H2,1-5H3,(H,35,36,37) |
| SMILES Code | O=C1C2=CC=CC=C2N(C(C)CC)C3=NC(NC4=CC=C(C(N5CCC(N6CCN(C)CC6)CC5)=O)C=C4OC)=NC=C3N1C |
| References | Wang J, Erazo T, Ferguson FM, Buckley DL, Gomez N, Muñoz-Guardiola P, Diéguez-Martínez N, Deng X, Hao M, Massefski W, Fedorov O, Offei-Addo NK, Park PM, Dai L, DiBona A, Becht K, Kim ND, McKeown MR, Roberts JM, Zhang J, Sim T, Alessi DR, Bradner JE, Lizcano JM, Blacklow SC, Qi J, Xu X, Gray NS. Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. ACS Chem Biol. 2018 Sep 21;13(9):2438-2448. doi: 10.1021/acschembio.7b00638. Epub 2018 Aug 31. PubMed PMID: 30102854; PubMed Central PMCID: PMC6333101. |
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