[CAS NO. 2421119-60-8] JKE-1674

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PRODUCTS SPECIFICATIONS [2421119-60-8]

Catalog

HY-138153

Brand

MCE

CAS

2421119-60-8

DESCRIPTION [2421119-60-8]

Overview

MDL	-
Molecular Weight	451.30
Molecular Formula	C20H20Cl2N4O4
SMILES	O=C(N1CCN(C(C2=CC=C(Cl)C=C2)C3=CC=C(Cl)C=C3)CC1)/C(C[N+]([O-])=O)=N/O

For research use only. We do not sell to patients.

Summary

JKE-1674 is an orally active glutathione peroxidase 4 ( GPX4 ) inhibitor and an active metabolite of GPX4 inhibitor ML-210. JKE-1674, an analog of ML-210 in which the nitroisoxazole ring is replaced with an α-nitroketoxime. JKE-1674 can convert into a nitrile oxide JKE-1777. JKE-1674 kills LOX-IMVI cells in a manner that is equipotent to ML-210 and is completely rescued by ferroptosis inhibitors ^[1] ^[2] ^[3] .

IC50 & Target

GPX4 ^[1]

In Vitro

JKE-1674 exhibits activity indistinguishable from that of ML210 in cellular target engagement assays including yielding the same +434Da GPX4 adduct in cells. JKE-1674 kills LOX-IMVI cells in a manner that is equipotent to ML210 and is completely rescued by ferroptosis inhibitors. JKE-1674 forms a nitrile-oxide electrophile in cells. JKE-1674 dehydration yields a nitrile-oxide electrophile that binds GPX4. JKE-1674 exhibits far greater stability than chloroacetamide inhibitors ^[1] .

MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

JKE-1674 (50 mg/kg; p.o.) can be detected in the serum of mice dosed orally with the compound ^[1] .

MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Animal Model:	SCID mice ^[1]
Dosage:	50 mg/kg (Pharmacokinetic Analysis)
Administration:	P.o.
Result:	Could be detected in the serum of mice dosed orally with the compound.

Appearance

Solid

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

4°C, protect from light

* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)

Solvent & Solubility

In Vitro:

DMSO : 100 mg/mL ( 221.58 mM ; Need ultrasonic)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	2.2158 mL	11.0791 mL	22.1582 mL
5 mM	0.4432 mL	2.2158 mL	4.4316 mL
10 mM	0.2216 mL	1.1079 mL	2.2158 mL

* Please refer to the solubility information to select the appropriate solvent.

In Vivo:

1.

Add each solvent one by one: 10% DMSO >> 90% (20% SBE-β-CD in saline)

Solubility: ≥ 2.5 mg/mL (5.54 mM); Clear solution
2.

Add each solvent one by one: 10% DMSO >> 90% corn oil

Solubility: ≥ 2.5 mg/mL (5.54 mM); Clear solution

* All of the co-solvents are available by MCE.