| Stereochemistry | ACHIRAL |
| Molecular Formula | C18H21F2N5O4S.CH4O3S |
| Molecular Weight | 537.558 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.COC1=CC=C(F)C(F)=C1C(=O)C2=CN=C(NC3CCN(CC3)S(C)(=O)=O)N=C2N
InChI
InChIKey=BUYYGASGVDVCPU-UHFFFAOYSA-N
InChI=1S/C18H21F2N5O4S.CH4O3S/c1-29-13-4-3-12(19)15(20)14(13)16(26)11-9-22-18(24-17(11)21)23-10-5-7-25(8-6-10)30(2,27)28;1-5(2,3)4/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24);1H3,(H,2,3,4)
A diaminopyrimidine compound R547 is a small molecule selective ATP-competitive inhibitor of cyclin-dependent kinases CDK1, CDK2 and CDK4 and has excellent in vitro cellular potency, inhibiting the growth of various human tumor cell lines. In vivo, R547 showed antitumor activity in all of the models tested to date, including six human tumor xenografts and an orthotopic syngeneic rat model. R547 was being developed by Roche for the treatment of solid tumours. The compound was undergoing clinical development in the US. However, no recent development has been reported and it is assumed to have been discontinued.
Originator
Approval Year
Sourcing
PubMed
Patents
Sample Use Guides
R 547, ranging from 8.6-195 mg/m2, is administered via a 90 min infusion on days 1 and 8, on a 21 day cycle; six patients remain in the study. In one patient with metastatic squamous skin cancer in the 155 mg/m2 cohort, tumour regression in non-target lesions was observed.
Route of Administration:
Intravenous
ACTIVE MOIETY
SUBSTANCE RECORD
