GNE-555

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

MedKoo CAT#: 406250

CAS#: NONE

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.


Chemical Structure

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GNE-555
CAS# NONE

Theoretical Analysis

MedKoo Cat#: 406250
Name: GNE-555
CAS#: NONE
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

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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

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

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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.

GNE-555

10.0mg / Not available


Additional Information