WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 406248
Description: PF-05139962 is a novel potent mTOR inhibitor with excellent mTOR biochemical inhibition, cellular potency, kinase selectivity and in vitro ADME properties. PF-05139962 has pS473 and pS6 cellular IC50 = 48 and 6 nM respectively. PF-05139962 has great selectivity against other receptors and kinases. No genotoxicity was observed on this compound and no more than 25% inhibiton was observed for major CYP enzymes (3A4, 1A2, 2C9, 2D6) at 3 uM. This compound has LE = 0.35 and LipE up to 6.8 which is in a very desirable range for a kinase inhibitor.
MedKoo Cat#: 406248
Chemical Formula: C21H27N5O4S
Exact Mass: 445.17838
Molecular Weight: 445.53518
Elemental Analysis: C, 56.61; H, 6.11; N, 15.72; O, 14.36; S, 7.20
PF05139962 is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to email@example.com to inquire quote.
Synonym: PF05139962; PF 05139962; PF-05139962.
IUPAC/Chemical Name: (S)-1-ethyl-3-(4-(4-(3-methylmorpholino)-6,6-dioxido-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)phenyl)urea
InChi Key: NLFYWTSGSCFECR-AWEZNQCLSA-N
InChi Code: InChI=1S/C21H27N5O4S/c1-3-22-21(27)23-16-6-4-15(5-7-16)19-24-18-8-11-31(28,29)13-17(18)20(25-19)26-9-10-30-12-14(26)2/h4-7,14H,3,8-13H2,1-2H3,(H2,22,23,27)/t14-/m0/s1
SMILES Code: O=C(NC1=CC=C(C2=NC(N3[C@@H](C)COCC3)=C(CS4(=O)=O)C(CC4)=N2)C=C1)NCC
The following data is based on the product molecular weight 445.53518 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
|Concentration / Solvent Volume / Mass||1 mg||5 mg||10 mg|
|1 mM||1.15 mL||5.76 mL||11.51 mL|
|5 mM||0.23 mL||1.15 mL||2.3 mL|
|10 mM||0.12 mL||0.58 mL||1.15 mL|
|50 mM||0.02 mL||0.12 mL||0.23 mL|
1: Liu KK, Bailey S, Dinh DM, Lam H, Li C, Wells PA, Yin MJ, Zou A. Conformationally-restricted cyclic sulfones as potent and selective mTOR kinase inhibitors. Bioorg Med Chem Lett. 2012 Aug 1;22(15):5114-7. doi: 10.1016/j.bmcl.2012.05.104. Epub 2012 Jun 6. PubMed PMID: 22765900.
PF-05139962 has more than 500-fold selectivity against PI3Ka and good in vitro ADME profile. However, no in vitro in vivo PK correlation was observed in rats and this disconnection confounds human PK predictions. Compounds in this series were halted for further evaluation.