MedKoo Cat#: 406250 | Name: GNE-555

Description:

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

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.

Chemical Structure

GNE-555
GNE-555
CAS#1428902-71-9

Theoretical Analysis

MedKoo Cat#: 406250

Name: GNE-555

CAS#: 1428902-71-9

Chemical Formula: C26H34N6O3

Exact Mass: 478.2692

Molecular Weight: 478.59

Elemental Analysis: C, 65.25; H, 7.16; N, 17.56; O, 10.03

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
Bulk Inquiry
Related CAS #
No Data
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
Appearance
Solid powder
Purity
>98%
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, not in water
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
More Info
        

Preparing Stock Solutions

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.

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
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.