B-Raf IN 2 is a potent and specific BRAF inhibitor for cancer-related research. For more details, check and find compound Ia from the patent WO2021116055A1.

Physicochemical Properties

Molecular Formula	C20H17F2N5O4S
Molecular Weight	461.44
Exact Mass	461.096
CAS #	2649372-20-1
PubChem CID	156473463
Appearance	Off-white to light yellow solid powder
LogP	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Heavy Atom Count	32
Complexity	903
Defined Atom Stereocenter Count	1
SMILES	N1(S(NC2=CC=C(F)C(OC3C=CC4=C(C=3)C(=O)N(C)C=N4)=C2C#N)(=O)=O)CC[C@@H](F)C1
InChi Key	ZUXPFTYMSHPRQX-GFCCVEGCSA-N
InChi Code	InChI=1S/C20H17F2N5O4S/c1-26-11-24-17-4-2-13(8-14(17)20(26)28)31-19-15(9-23)18(5-3-16(19)22)25-32(29,30)27-7-6-12(21)10-27/h2-5,8,11-12,25H,6-7,10H2,1H3/t12-/m1/s1
Chemical Name	(3R)-N-[2-cyano-4-fluoro-3-(3-methyl-4-oxoquinazolin-6-yl)oxyphenyl]-3-fluoropyrrolidine-1-sulfonamide
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 (e.g. under nitrogen), avoid exposure to moisture and light.
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	BRafV600E
ln Vitro	While maintaining high potency, B-Raf IN 2 exhibits significantly less paradoxical activation of the MAPK signaling pathway[1].
References	[1]. New methylquinazolinone derivatives. WO2021116055A1.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (216.71 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.42 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 25.0 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	2.1671 mL	10.8356 mL	21.6713 mL
	5 mM	0.4334 mL	2.1671 mL	4.3343 mL
	10 mM	0.2167 mL	1.0836 mL	2.1671 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.