[CAS NO. 1422554-34-4] I-BET282

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PRODUCTS SPECIFICATIONS [1422554-34-4]

Catalog

HY-19760

Brand

MCE

CAS

1422554-34-4

DESCRIPTION [1422554-34-4]

Overview

MDL	-
Molecular Weight	450.53
Molecular Formula	C25H30N4O4
SMILES	COC1=C(C2=C(C)ON=C2C)C=C(N=CC3=C4N(C(C5CCOCC5)=N3)[C@@H](COC)C)C4=C1

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

Summary

I-BET282 is a pan-inhibitor of all eight BET bromodomains , and selectivity over other representative bromodomain-containing proteins. I-BET282 shows pIC ₅₀ s ranging 6.4-7.7 for BRD2 (BD1/BD2), BRD2 (BD1/BD), BRD3 (BD1/BD), and BRD4 (BD1/BD) ^[1] .

In Vitro

I-BET282 has a weak inhibition of the hERG potassium ion channel (pIC ₅₀ 4.4-5.1 in a variety of assay formats). I-BET282 shows a low potential to inhibit CYP proteins in vitro, with no evidence of time-dependent inhibition of 2D6 or 3A4 ^[1] .

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

In Vivo

I-BET282 (Male CD1 Mice; 3 mg/kg-p.o.; 1 mg/kg-i.v.) treatment shows the Cl _b , LBF, Vss, t _1/2 (i.v.), and F values of 23 mL/min/kg, 19%, 1.9 L/kg, and 51%, respectively. I-BET282 (Male Wistar Han Rats; 1 mg/kg; p.o.) treatment shows the AUC _0-t , C _max and T _max values of 467 ng h/mL, 125 ng/mL, and 1 hour, respectively ^[1] .

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

Appearance

Solid

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	6 months
	-20°C	1 month

Solvent & Solubility

In Vitro:

DMSO : 100 mg/mL ( 221.96 mM ; Need ultrasonic)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	2.2196 mL	11.0980 mL	22.1961 mL
5 mM	0.4439 mL	2.2196 mL	4.4392 mL
10 mM	0.2220 mL	1.1098 mL	2.2196 mL

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

In Vivo:

1.

Add each solvent one by one: 10% DMSO >> 40% PEG300 >> 5% Tween-80 >> 45% saline

Solubility: ≥ 2.5 mg/mL (5.55 mM); Clear solution
2.

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

Solubility: ≥ 2.5 mg/mL (5.55 mM); Clear solution
3.

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

Solubility: ≥ 2.5 mg/mL (5.55 mM); Clear solution

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

References

[1] Jones KL, et al. Discovery of a Novel Bromodomain and Extra Terminal Domain (BET) Protein Inhibitor, I-BET282E, Suitable for Clinical Progression. J Med Chem. 2021;64(16):12200-12227.