WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 406250
Description: GNE-555 is a novel, orally bioavailable, potent and selective mTOR inhibitor with potential anticancer activity. GNE-55 exhibited single-digit nanomolar mTOR cellular activity, excellent kinase selectivity, highly desirable free drug clearance, and excellent oral exposure in both mouse and dog. Furthermore, GNE-555 displayed similar efficacy at less than half the dose of GDC-0349 in a 14-day tumor growth inhibition study.
MedKoo Cat#: 406250
Chemical Formula: C26H34N6O3
Exact Mass: 478.26924
Molecular Weight: 478.59
Elemental Analysis: C, 65.25; H, 7.16; N, 17.56; O, 10.03
GNE-555 is not in stock, but 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 firstname.lastname@example.org to inquire quote.
Synonym: GNE555; GNE 555; GNE-555.
IUPAC/Chemical Name: 1-ethyl-3-(4-((6S,9R)-4-((S)-3-methylmorpholino)-10-(oxetan-3-yl)-6,7,8,9-tetrahydro-5H-6,9-epiminocyclohepta[d]pyrimidin-2-yl)phenyl)urea
InChi Key: NHJAMHLWORQRFH-XWFZLUIHSA-N
InChi Code: InChI=1S/C26H34N6O3/c1-3-27-26(33)28-18-6-4-17(5-7-18)24-29-23-21(25(30-24)31-10-11-34-13-16(31)2)12-19-8-9-22(23)32(19)20-14-35-15-20/h4-7,16,19-20,22H,3,8-15H2,1-2H3,(H2,27,28,33)/t16-,19-,22+/m0/s1
SMILES Code: O=C(NC1=CC=C(C2=NC(N3[C@@H](C)COCC3)=C(C[C@]4([H])CC[C@@]5([H])N4C6COC6)C5=N2)C=C1)NCC
The following data is based on the product molecular weight 478.59 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: Estrada AA, Shore DG, Blackwood E, Chen YH, Deshmukh G, Ding X, Dipasquale AG, Epler JA, Friedman LS, Koehler M, Liu L, Malek S, Nonomiya J, Ortwine DF, Pei Z, Sideris S, St-Jean F, Trinh L, Truong T, Lyssikatos JP. Pyrimidoaminotropanes as Potent, Selective and Efficacious Small Molecule Kinase Inhibitors of the Mammalian Target of Rapamycin (mTOR). J Med Chem. 2013 Mar 8. [Epub ahead of print] PubMed PMID: 23473235.