MedKoo Cat#: 122752 | Name: GNE684

Description:

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

GNE684 is a RIPK1 inhibitor. GNE684 was shown to be a potent inhibitor of necroptotic cell death in vitro across multiple human and mouse cell lines and also maintained the high RIPK1 specificity of the benzoxazepinone class (S(20) = 0.00) against a 221 kinase panel at 10 μM.

Chemical Structure

GNE684
GNE684
CAS#2438637-64-8

Theoretical Analysis

MedKoo Cat#: 122752

Name: GNE684

CAS#: 2438637-64-8

Chemical Formula: C23H24N6O3

Exact Mass: 432.1900

Molecular Weight: 432.48

Elemental Analysis: C, 63.88; H, 5.59; N, 19.43; O, 11.10

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 #
No Data
Synonym
GNE684; GNE-684; GNE 684
IUPAC/Chemical Name
(S)-N-((S)-7-methoxy-1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepin-3-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide
InChi Key
JXFYROJRZJPKTQ-DLBZAZTESA-N
InChi Code
InChI=1S/C23H24N6O3/c1-28-18-13-24-20(32-2)12-15(18)8-9-16(23(28)31)25-22(30)21-26-19-11-10-17(29(19)27-21)14-6-4-3-5-7-14/h3-7,12-13,16-17H,8-11H2,1-2H3,(H,25,30)/t16-,17+/m0/s1
SMILES Code
O=C(C1=NN2C(CC[C@@H]2C3=CC=CC=C3)=N1)N[C@H]4CCC5=C(C=NC(OC)=C5)N(C)C4=O
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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 432.48 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: Kist M, Kőműves LG, Goncharov T, Dugger DL, Yu C, Roose-Girma M, Newton K, Webster JD, Vucic D. Impaired RIPK1 ubiquitination sensitizes mice to TNF toxicity and inflammatory cell death. Cell Death Differ. 2021 Mar;28(3):985-1000. doi: 10.1038/s41418-020-00629-3. Epub 2020 Sep 30. PMID: 32999468; PMCID: PMC7937686. 2: Webster JD, Kwon YC, Park S, Zhang H, Corr N, Ljumanovic N, Adedeji AO, Varfolomeev E, Goncharov T, Preston J, Santagostino SF, Patel S, Xu M, Maher J, McKenzie BS, Vucic D. RIP1 kinase activity is critical for skin inflammation but not for viral propagation. J Leukoc Biol. 2020 Jun;107(6):941-952. doi: 10.1002/JLB.3MA1219-398R. Epub 2020 Jan 27. PMID: 31985117; PMCID: PMC7317411. 3: Patel S, Webster JD, Varfolomeev E, Kwon YC, Cheng JH, Zhang J, Dugger DL, Wickliffe KE, Maltzman A, Sujatha-Bhaskar S, Bir Kohli P, Ramaswamy S, Deshmukh G, Liederer BM, Fong R, Hamilton G, Lupardus P, Caplazi P, Lee WP, van Lookeren Campagne M, Johnson A, McKenzie BS, Junttila MR, Newton K, Vucic D. RIP1 inhibition blocks inflammatory diseases but not tumor growth or metastases. Cell Death Differ. 2020 Jan;27(1):161-175. doi: 10.1038/s41418-019-0347-0. Epub 2019 May 17. PMID: 31101885; PMCID: PMC7206119.