[CAS NO. 1710768-30-1] Ibrutinib-MPEA

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PRODUCTS SPECIFICATIONS [1710768-30-1]

Catalog

HY-43521

Brand

MCE

CAS

1710768-30-1

DESCRIPTION [1710768-30-1]

Overview

MDL	-
Molecular Weight	581.71
Molecular Formula	C32H39N9O2
SMILES	NCCN1CCN(C/C=C/C(N2C[C@H](N3N=C(C4=CC=C(OC5=CC=CC=C5)C=C4)C6=C(N)N=CN=C63)CCC2)=O)CC1

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

Summary

Ibrutinib-MPEA (Compound 20) is ibrutinib derivative. Ibrutinib is a covalent and irreversible inhibitor of Bruton's tyrosine kinase (BTK) that has been used to treat haematological malignancies ^[1] .

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 : 33.33 mg/mL ( 57.30 mM ; Need ultrasonic)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	1.7191 mL	8.5953 mL	17.1907 mL
5 mM	0.3438 mL	1.7191 mL	3.4381 mL
10 mM	0.1719 mL	0.8595 mL	1.7191 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: 5 mg/mL (8.60 mM); Suspended solution; Need ultrasonic
2.

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

Solubility: ≥ 3.33 mg/mL (5.72 mM); Clear solution
3.

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

Solubility: ≥ 3.33 mg/mL (5.72 mM); Clear solution

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

References

[1] Liu N, et al. Direct and two-step bioorthogonal probes for Bruton's tyrosine kinase based on ibrutinib: a comparative study. Org Biomol Chem. 2015 May 14;13(18):5147-57.