WRR139 is a bioactive peptide vinyl sulfone involved in disease processes such as inflammation and cancer. WRR139 is also an inhibitor (blocker/antagonist) of the cytoplasmic enzymes N-glycanase 1 (NGLY1) and Nrf1. WRR139 enhances the cytotoxic effect of Carfilzomib against cancer cells.

Physicochemical Properties

Molecular Formula	C25H32N2O4S
Molecular Weight	456.5976
Exact Mass	456.208
CAS #	2138924-36-2
PubChem CID	135300204
Appearance	White to off-white solid powder
LogP	4.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	11
Heavy Atom Count	32
Complexity	713
Defined Atom Stereocenter Count	1
SMILES	CC1=CC=C(C=C1)S(=O)(=O)/C=C/C(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)NCCC(C)C
InChi Key	BLEQGDOEDLJWCG-NGIFANIDSA-N
InChi Code	InChI=1S/C25H32N2O4S/c1-19(2)15-17-26-25(29)23(14-11-21-7-5-4-6-8-21)27-24(28)16-18-32(30,31)22-12-9-20(3)10-13-22/h4-10,12-13,16,18-19,23H,11,14-15,17H2,1-3H3,(H,26,29)(H,27,28)/b18-16+/t23-/m0/s1
Chemical Name	(2S)-N-(3-methylbutyl)-2-[[(E)-3-(4-methylphenyl)sulfonylprop-2-enoyl]amino]-4-phenylbutanamide
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

ln Vitro	WRR139 (0.01-100 μM; 1 hour) suppresses Nrf1 processing in HEK293 cells and inhibits NGLY1 in vitro [1]. In HEK293 cells, Nrf1 processing, localization, and activation are disrupted by WRR139 (5 μM; 18 hours) [1]. In U266, H929, and Jurkat cells, WRR139 (1 μM; 24 hours) increases carfilzomib cytotoxicity in an NGLY1-dependent manner [1].
References	[1]. Tomlin FM, et al. Inhibition of NGLY1 Inactivates the Transcription Factor Nrf1 and Potentiates Proteasome Inhibitor Cytotoxicity. ACS Cent Sci. 2017 Nov 22;3(11):1143-1155.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (219.01 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.48 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.1901 mL	10.9505 mL	21.9010 mL
	5 mM	0.4380 mL	2.1901 mL	4.3802 mL
	10 mM	0.2190 mL	1.0951 mL	2.1901 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.