(+)-Tyrphostin B44 (Tyrphostin AG 835) (Compound B50) is an EGRF inhibitor (antagonist) with anti-tumor activity.

Physicochemical Properties

Molecular Formula	C18H16N2O3
Molecular Weight	308.33124
Exact Mass	308.116
CAS #	133550-37-5
PubChem CID	5328769
Appearance	Light yellow to yellow solid powder
Density	1.299g/cm3
Boiling Point	603ºC at 760mmHg
Melting Point	146 °C
Flash Point	318.5ºC
Vapour Pressure	3.9E-15mmHg at 25°C
Index of Refraction	1.66
LogP	3.273
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	23
Complexity	488
Defined Atom Stereocenter Count	1
SMILES	C1(/C=C(\C#N)/C(N[C@@H](C)C2=CC=CC=C2)=O)=CC(O)=C(O)C=C1
InChi Key	UMGQVUWXNOJOSJ-DGGAMASNSA-N
InChi Code	InChI=1S/C18H16N2O3/c1-12(14-5-3-2-4-6-14)20-18(23)15(11-19)9-13-7-8-16(21)17(22)10-13/h2-10,12,21-22H,1H3,(H,20,23)/b15-9+/t12-/m0/s1
Chemical Name	(E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
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
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

ln Vitro	(+)-Tyrphostin B44 (Tyrphostin AG 835) (Compound B50) has an EC50 value of 3.12, 12.5, and 12.5 µM for CALO, INBL, and HeLa cells, respectively, and reduces cell survival at concentrations ranging from 0-100 µM [1].
References	[1]. The tyrphostin B42 inhibits cell proliferation and HER-2 autophosphorylation in cervical carcinoma cell lines. Cancer Invest. 2008 Mar;26(2):136-44.
Additional Infomation	Tyrphostin B50 is a member of the tyrphostin family of tyrosine kinase inhibitors that inhibits epidermal growth factor receptor and blocks metavanadate-induced respiratory burst in alveolar macrophages. (NCI)

Solubility Data

Solubility (In Vitro)

DMSO : ≥ 100 mg/mL (~324.33 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 2.5 mg/mL (8.11 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 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: ≥ 2.5 mg/mL (8.11 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 25.0 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.2433 mL	16.2164 mL	32.4328 mL
	5 mM	0.6487 mL	3.2433 mL	6.4866 mL
	10 mM	0.3243 mL	1.6216 mL	3.2433 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.