Epitinib succinate is an orally bioactive and selective epidermal growth factor receptor tyrosine kinase inhibitor (EGFR-TKI) that penetrates the BBB (blood-brain barrier). Epitinib succinate may be used in cancer research. Epitinib (succinate) is a reagent for click chemistry. It contains Alkyne groups and could undergo CuAAc (copper-catalyzed azide-alkyne cycloaddition reaction) with compounds bearing an Azide group.

Physicochemical Properties

Molecular Formula	C28H32N6O6
Molecular Weight	548.590286254883
Exact Mass	548.238
CAS #	2252334-12-4
Related CAS #	Epitinib;1203902-67-3
PubChem CID	135379897
Appearance	White to light yellow solid powder
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	9
Heavy Atom Count	40
Complexity	765
Defined Atom Stereocenter Count	0
SMILES	O=C(NC1C(=CC2C(=C(N=CN=2)NC2C=CC=C(C#C)C=2)C=1)OC)N1CCN(CC)CC1.OC(CCC(=O)O)=O
InChi Key	HISXHQFAOANCJX-UHFFFAOYSA-N
InChi Code	InChI=1S/C24H26N6O2.C4H6O4/c1-4-17-7-6-8-18(13-17)27-23-19-14-21(22(32-3)15-20(19)25-16-26-23)28-24(31)30-11-9-29(5-2)10-12-30;5-3(6)1-2-4(7)8/h1,6-8,13-16H,5,9-12H2,2-3H3,(H,28,31)(H,25,26,27);1-2H2,(H,5,6)(H,7,8)
Chemical Name	butanedioic acid;4-ethyl-N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]piperazine-1-carboxamide
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	EGFR[2]
ln Vitro	A selective and potent oral epidermal growth factor receptor tyrosine kinase inhibitor (EGFR-TKI) for maximum brain penetration is called epitinib succinate[1][2].
References	[1]. The safety profile of a selective EGFR TKI epitinib (HMPL-813) in patients with advanced solid tumors and preliminary clinical efficacy in EGFRm+ NSCLC patients with brain metastasis. Journal of Clinical Oncology 2016 34:15_suppl, e20502-e20502. [2]. Phase I study of the safety and pharmacokinetics of epitinib, an oral EGFR tyrosine kinase inhibitor, in patients with advanced solid tumors. Journal of Clinical Oncology 2013 31:15_suppl, e19042-e19042.
Additional Infomation	Epitinib Succinate is the succinate salt form of epitinib, an orally available epidermal growth factor receptor (EGFR) inhibitor, with potential antineoplastic activity. Upon administration, epitinib inhibits the activity of EGFR, thereby preventing EGFR-mediated signaling. This may lead to induction of cell death and inhibition of tumor growth in EGFR-overexpressing tumor cells. EGFR is a receptor tyrosine kinase (RTK) that is overexpressed in certain tumor types and plays a key role in tumor cell proliferation and vascularization.

Solubility Data

Solubility (In Vitro)

DMSO: 12.5 mg/mL (22.79 mM) H2O: 1 mg/mL (1.82 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 1.25 mg/mL (2.28 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 12.5 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL 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: ≥ 1.25 mg/mL (2.28 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 12.5 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: ≥ 1.25 mg/mL (2.28 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 12.5 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.8229 mL	9.1143 mL	18.2285 mL
	5 mM	0.3646 mL	1.8229 mL	3.6457 mL
	10 mM	0.1823 mL	0.9114 mL	1.8229 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.