MedKoo Cat#: 561792 | Name: GNE-618

Description:

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

GNE-618 is an inhibitor of nicotinamide phosphoribosyl transferase (NAMPT).

Chemical Structure

GNE-618
GNE-618
CAS#1362151-42-5

Theoretical Analysis

MedKoo Cat#: 561792

Name: GNE-618

CAS#: 1362151-42-5

Chemical Formula: C21H15F3N4O3S

Exact Mass: 460.0817

Molecular Weight: 460.43

Elemental Analysis: C, 54.78; H, 3.28; F, 12.38; N, 12.17; O, 10.42; S, 6.96

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.
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Related CAS #
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Synonym
GNE-618; GNE 618; GNE618;
IUPAC/Chemical Name
N-[[4-[[3-(Trifluoromethyl)phenyl]sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
InChi Key
LKBHAGGICJWHQQ-UHFFFAOYSA-N
InChi Code
InChI=1S/C21H15F3N4O3S/c22-21(23,24)16-2-1-3-18(9-16)32(30,31)17-6-4-13(5-7-17)10-26-20(29)15-8-14-12-27-28-19(14)25-11-15/h1-9,11-12H,10H2,(H,26,29)(H,25,27,28)
SMILES Code
O=C(C1=CN=C(NN=C2)C2=C1)NCC3=CC=C(S(=O)(C4=CC=CC(C(F)(F)F)=C4)=O)C=C3
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
>2 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 460.43 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: Wang W, Elkins K, Oh A, Ho YC, Wu J, Li H, Xiao Y, Kwong M, Coons M, Brillantes B, Cheng E, Crocker L, Dragovich PS, Sampath D, Zheng X, Bair KW, O'Brien T, Belmont LD. Structural basis for resistance to diverse classes of NAMPT inhibitors. PLoS One. 2014 Oct 6;9(10):e109366. doi: 10.1371/journal.pone.0109366. eCollection 2014. PubMed PMID: 25285661; PubMed Central PMCID: PMC4186856. 2: O'Brien T, Oeh J, Xiao Y, Liang X, Vanderbilt A, Qin A, Yang L, Lee LB, Ly J, Cosino E, LaCap JA, Ogasawara A, Williams S, Nannini M, Liederer BM, Jackson P, Dragovich PS, Sampath D. Supplementation of nicotinic acid with NAMPT inhibitors results in loss of in vivo efficacy in NAPRT1-deficient tumor models. Neoplasia. 2013 Dec;15(12):1314-29. PubMed PMID: 24403854; PubMed Central PMCID: PMC3884523. 3: Xiao Y, Elkins K, Durieux JK, Lee L, Oeh J, Yang LX, Liang X, DelNagro C, Tremayne J, Kwong M, Liederer BM, Jackson PK, Belmont LD, Sampath D, O'Brien T. Dependence of tumor cell lines and patient-derived tumors on the NAD salvage pathway renders them sensitive to NAMPT inhibition with GNE-618. Neoplasia. 2013 Oct;15(10):1151-60. PubMed PMID: 24204194; PubMed Central PMCID: PMC3819631.