PF-05139962

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 406248

CAS#: 1393712-18-9

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.


Chemical Structure

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PF-05139962
CAS# 1393712-18-9

Theoretical Analysis

MedKoo Cat#: 406248
Name: PF-05139962
CAS#: 1393712-18-9
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

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
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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

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: soluble in DMSO

Shelf Life: >5 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Preparing Stock Solutions

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.

Recalculate based on batch purity %
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

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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.



Additional Information

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.