[CAS NO. 1430844-80-6] A-1331852

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PRODUCTS SPECIFICATIONS [1430844-80-6]

Catalog

HY-19741

Brand

MCE

CAS

1430844-80-6

DESCRIPTION [1430844-80-6]

Overview

MDL	-
Molecular Weight	658.81
Molecular Formula	C38H38N6O3S
SMILES	O=C(C1=NC(N2CC3=C(C=CC=C3C(NC4=NC5=CC=CC=C5S4)=O)CC2)=CC=C1C6=C(C)N(CC7(C8)CC9CC8CC(C9)C7)N=C6)O

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

20 Publications Citing Use of MCE

Summary

A-1331852 is an orally available BCL-XL selective inhibitor with a K _i of less than 10 pM.

IC50 & Target

Bcl-xL

0.01 nM (Ki)

Bcl-W

4 nM (Ki)

Bcl-2

6 nM (Ki)

Mcl-1

142 nM (Ki)

In Vitro

A-1331852 selectively disrupts BCL-XL–BIM complexes and induces the hallmarks of apoptosis in BCL-XL–dependent Molt-4 cells with IC ₅₀ s in the low nanomolar range but does not affect MEF cells lacking BAK or BAX. In CellTiter-Glo cell viability assay, A-1331852 inhibits NCI-H847, NCI-H1417, SET-2, HEL, OCI-M2 with EC ₅₀ values of 3, 7, 80, 120 and 100 nM ^[1] .

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

In Vivo

A-1331852 demonstrates antitumor efficacy in the Molt-4 xenograft model, inducing tumor regressions as a single agent. Additionally, A-1331852 combines with venetoclax to recapitulate the efficacy of navitoclax in the NCI-H1963.FP5 xenograft model of SCLC. A-1331852 significantly inhibits tumor growth in seven subcutaneous xenograft models of solid tumors, including breast cancer, NSCLC, and ovarian cancer ^[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 : ≥ 50 mg/mL ( 75.89 mM )

Ethanol : 4 mg/mL ( 6.07 mM ; ultrasonic and warming and heat to 60°C)

H ₂ O : < 0.1 mg/mL (ultrasonic;warming;heat to 80°C) (insoluble)

* "≥" means soluble, but saturation unknown.

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	1.5179 mL	7.5894 mL	15.1789 mL
5 mM	0.3036 mL	1.5179 mL	3.0358 mL
10 mM	0.1518 mL	0.7589 mL	1.5179 mL

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

In Vivo:

1.

Add each solvent one by one: 2.5% DMSO >> 10% ethanol >> 27.5% PEG 300 >> 60% Phosal 50 PG

Solubility: ≥ 2.5 mg/mL (3.79 mM); Clear solution
2.

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

Solubility: 2.08 mg/mL (3.16 mM); Suspended solution; Need ultrasonic
3.

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

Solubility: 2.08 mg/mL (3.16 mM); Suspended solution; Need ultrasonic
4.

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

Solubility: ≥ 2.08 mg/mL (3.16 mM); Clear solution

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

References

[1] Leverson JD, et al. Exploiting selective BCL-2 family inhibitors to dissect cell survival dependencies and define improved strategies for cancer therapy. Sci Transl Med. 2015 Mar 18;7(279):279ra40.