3D model is for representation purpose only.
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RR | 2H-1-Benzopyran-6-sulfonic acid, 3,4-dihydro-2,2,5,7,8-pentamethyl- |
Identification | |
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ConjuPepDB ID | cpd01226 |
Smiles | |
Molecular weight | 1073.52 |
Molecular formula | C58H72FN9O8S |
Chemical name | Peptide information |
Sequence (one letter) | RR |
Length | 2 |
Peptide name | dipeptide |
External ID | |
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CAS number | 956697-37-3 |
Other information | |
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Application | Anticancer therapy, DNA replication |
Additional function | inhibition of cyclin-dependent kinase 2 (CDK2) / cyclin A substrate reruitment |
Pharmacological class | anticancer |
Conjugate type | sulfonamide |
Linker | no |
Small molecule | 2H-1-Benzopyran-6-sulfonic acid, 3,4-dihydro-2,2,5,7,8-pentamethyl- |
Small molecule CAS | 745073-71-6 |
Structure method | 1H NMR, HPLC |
Calculated properties | |
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LogP | 7.18477 |
Rotatable bonds | 22 |
H bond donor | 9 |
H bond acceptor | 11 |
Polar surface area (PSA) | 276.79000 |
Citations | |||||
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ID | Title | Year | Authors | Journal | DOI |
REPLACE: a strategy for iterative design of cyclin-binding groove inhibitors | 2006 | Andrews, Martin J. I.; Kontopidis, George; McInnes, Campbell; Plater, Andy; Innes, Lorraine; Cowan, Angela; Jewsbury, Philip; Fischer, Peter M. | ChemBioChem |