G-5758 | IRE1α Inhibitor

MedKoo Cat#: 126996 | Name: G-5758

Description:

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

G-5758 is a Potent, Selective, and Orally Available IRE1α Inhibitor (XBP1s IC50 = 38 nM). G-5785 demonstrated Comparable PD Modulation to IRE1 Knockdown in a Multiple Myeloma Model

Chemical Structure

G-5758

CAS#N/A

Theoretical Analysis

MedKoo Cat#: 126996

Name: G-5758

CAS#: N/A

Chemical Formula: C27H24F4N6O3S

Exact Mass: 588.1567

Molecular Weight: 588.58

Elemental Analysis: C, 55.10; H, 4.11; F, 12.91; N, 14.28; O, 8.15; S, 5.45

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

G-5758; G 5758; G5758

IUPAC/Chemical Name

1-phenyl-N-(2,3,6-trifluoro-4-((3-(2-(((3S,5S)-5-fluoropiperidin-3-yl)amino)pyrimidin-4-yl)pyridin-2-yl)oxy)phenyl)methanesulfonamide

InChi Key

RBOAUACOQMQNBF-ROUUACIJSA-N

InChi Code

InChI=1S/C27H24F4N6O3S/c28-17-11-18(14-32-13-17)35-27-34-10-8-21(36-27)19-7-4-9-33-26(19)40-22-12-20(29)25(24(31)23(22)30)37-41(38,39)15-16-5-2-1-3-6-16/h1-10,12,17-18,32,37H,11,13-15H2,(H,34,35,36)/t17-,18-/m0/s1

SMILES Code

F[C@@H]1CNC[C@@H](NC2=NC(C3=C(OC4=CC(F)=C(NS(=O)(CC5=CC=CC=C5)=O)C(F)=C4F)N=CC=C3)=CC=N2)C1

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 588.58 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

Braun MG, Ashkenazi A, Beveridge RE, Castanedo G, Wallweber HA, Beresini MH, Clark KR, De Bruyn T, Fu L, Gibbons P, Jiang F, Kaufman S, Kan D, Kiefer JR, Leclerc JP, Lemire A, Ly C, Segal E, Sims J, Wang W, Wei W, Zhao L, Schwarz JB, Rudolph J. Discovery of Potent, Selective, and Orally Available IRE1α Inhibitors Demonstrating Comparable PD Modulation to IRE1 Knockdown in a Multiple Myeloma Model. J Med Chem. 2024 May 15. doi: 10.1021/acs.jmedchem.3c02425. Epub ahead of print. PMID: 38748820.