ASN007 benzenesulfonate is a selective, potent and orally active inhibitor of ERK. With low single-digit nM IC50 values, ASN007 benzenesulfonate inhibits ERK1/2. For the study of cancers brought on by RAS mutations, ASN007 benzenesulfonate may be used.

Physicochemical Properties

Molecular Weight	632.11
Exact Mass	631.177
CAS #	2055597-39-0
Related CAS #	ASN007;2055597-12-9
PubChem CID	124122603
Appearance	White to off-white solid powder
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	8
Heavy Atom Count	43
Complexity	827
Defined Atom Stereocenter Count	1
SMILES	S(C1C=CC=CC=1)(O)(=O)=O.CC1=CN=C(NC2CCOCC2)N=C1N1C=NC(C(=O)N[C@@H](C2C=C(F)C=C(Cl)C=2)CN)=C1
InChi Key	JXWBNMQMMAONIH-GMUIIQOCSA-N
InChi Code	InChI=1S/C22H25ClFN7O2.C6H6O3S/c1-13-10-26-22(28-17-2-4-33-5-3-17)30-20(13)31-11-19(27-12-31)21(32)29-18(9-25)14-6-15(23)8-16(24)7-14;7-10(8,9)6-4-2-1-3-5-6/h6-8,10-12,17-18H,2-5,9,25H2,1H3,(H,29,32)(H,26,28,30);1-5H,(H,7,8,9)/t18-;/m1./s1
Chemical Name	N-[(1S)-2-amino-1-(3-chloro-5-fluorophenyl)ethyl]-1-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]imidazole-4-carboxamide;benzenesulfonic acid
Synonyms	ASN007 benzenesulfonate; ERK-IN-3 benzenesulfonate
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

Targets	ERK1; ERK2
ln Vitro	In a variety of cell lines, ASN007 prevents the phosphorylation of ERK1/2 proteins like RSK1, FRA1, and Elk1 [1]. ASN007 has a bridging impact on the MAPK transport bridge system and has single-digit nanomolar anti-proliferative activity [1].
ln Vivo	ASN007 (daily) displayed tumor growth suppression in numerous BRAF and KRAS mutant xenograft models in mice and was well tolerated under efficient simulation [1].
References	[1]. Abstract B150: ASN007, a novel oral ERK inhibitor, shows robust antitumor activity in RAS mutant cancer models. Molecular Cancer Therapeutics. 2018 Jan; 17(1).

Solubility Data

Solubility (In Vitro)

DMSO: ~320 mg/mL (~506.2 mM) H2O: ~100 mg/mL (~158.2 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 8 mg/mL (12.66 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 80.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 8 mg/mL (12.66 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 80.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 8 mg/mL (12.66 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 80.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 4: 100 mg/mL (158.20 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.5820 mL	7.9100 mL	15.8200 mL
	5 mM	0.3164 mL	1.5820 mL	3.1640 mL
	10 mM	0.1582 mL	0.7910 mL	1.5820 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.