AT406 (Xevinapant, SM406, ARRY334543)

This product is for research use only, not for human use. We do not sell to patients.

For small sizes, please check our retail website as below: www.invivochem.com

Size	Price	Stock
250mg	$1000	In Stock
500mg	$1600	In Stock
1g	$2400	In Stock

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Cat #: V0053 CAS #: 1071992-99-8 Purity ≥ 98%

Description: Xevinapant (formerly Debio1143; AT-406; SM-406, ARRY-334543) is a first-in-class and orally bioavailable peptidomimetic of SMAC (second mitochondrial-derived activator of caspases)/DIABLO with potential antitumor activity, also an antagonist of IAP (inhibitor of apoptosis protein via E3 ubiquitin ligase) proteins.

References: Cai Q, Sun H, Peng Y, et al. A potent and orally active antagonist (SM-406/AT-406) of multiple inhibitor of apoptosis proteins (IAPs) in clinical development for cancer treatment. J Med Chem. 2011;54(8):2714-2726.

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Physicochemical and Storage Information
Protocol
Related Biological Data
Stock Solution Preparation
Quality Control Documentation

Molecular Weight (MW)	561.71
Molecular Formula	C32H43N5O4
CAS No.	1071992-99-8
Storage	-20℃ for 3 years in powder formr
Storage	-80℃ for 2 years in solvent
Solubility In Vitro	DMSO: 100 mg/mL (178.0 mM)r
	Water: <1 mg/mL (slightly soluble or insoluble)r
	Ethanol: N/A
Solubility In Vivo	30% Propylene glycol, 5% Tween 80, 65% D5W: 30mg/mL
SMILES Code	O=C([C@@H]1CC[C@@](CCN(C(CC(C)C)=O)C[C@@H]2NC([C@@H](NC)C)=O)([H])N1C2=O)NC(C3=CC=CC=C3)C4=CC=CC=C4
Synonyms	AT406; AT 406; SM 406; SM406; ARRY-334543; ARRY334543; ARRY 3345; DeBio-1143; DeBio1143; DeBio 1143; AT-406;

Protocol	In Vitro	Xevinapant mimic closely the AVPI peptide in both hydrogen bonding and hydrophobic interactions with XIAP, with additional hydrophobic contacts with W323 of XIAP. Xevinapant is more sensitive to these IAPs than Smac AVPI peptide with 50-100 fold binding affinities. Xevinapant (1 μM) completely restores the activity of caspase-9, which is suppressed by 500 nM XIAP BIR3 in a cell-free system. In MDA-MB-231 cell, Xevinapant induces rapid cellular cIAP1 degradation and also pulls down the cellular XIAP protein. Xevinapant effectively inhibits lots of human cancer cell lines and shows IC50 of 144 and 142 nM in MDA-MB-231 cell and SK-OV-3 ovarian cell, with low toxicity against normal-like human breast epithelial MCF-12F cells and primary human normal prostate epithelial cells. Xevinapant induces apoptosis in MDA-MB-231 cell by inducing activation of caspase-3 and cleavage of PARP.
Protocol	In Vivo	Xevinapant is evaluated for its pharmacokinetic (PK) properties in mice, rats, non-human primates and dogs. Xevinapant (AT-406) is very effective in inhibition of tumor growth in the MDA-MB-231 xenograft model, and has minimal toxicity to animals.

These protocols are for reference only. InvivoChem does not independently validate these methods.

Preparing Stock Solutions

Solvent volume to be added	Mass (the weight of a compound)
Mother liquor concentration	1mg	5mg	10mg	20mg
1mM	1.7803 mL	8.9014 mL	17.8028 mL	35.6056 mL
5mM	0.3561 mL	1.7803 mL	3.5606 mL	7.1211 mL
10mM	0.1780 mL	0.8901 mL	1.7803 mL	3.5606 mL
20mM	0.0890 mL	0.4451 mL	0.8901 mL	1.7803 mL

Quality Control Documentation	Select Batch Purity ≥ 98% COA MSDS NMR HPLC

The molarity calculator equation

Mass(g) = Concentration(mol/L) × Volume(L) × Molecular Weight(g/mol)

Mass

Concentration

Volume

Molecular Weight*

The dilution calculator equation

Concentration_(start) × Volume_(start) = Concentration_(final) × Volume_(final)

This equation is commonly abbreviated as: C₁ V₁ = C₂ V₂

Concentration_(start)

Volume_(start)

Concentration_(final)

Volume_(final)

Step One: Enter information below

Dosage mg/kg Average weight of animals g Dosing volume per animal µL Number of animals

Step Two: Enter the in vivo formulation

%DMSO + % + %Tween 80 + %ddH₂O

Calculation Results:

Working concentration: mg/ml;

Method for preparing DMSO master liquid: mg drug pre-dissolved in µL DMSO(Master liquid concentration mg/mL) ,Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation: Take µL DMSO master liquid, next add µL PEG300, mix and clarify, next add µL Tween 80,mix and clarify, next add µL ddH₂O,mix and clarify.

Note:

(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.