KRAS G12C inhibitor 14 is a novel inhibitor of KRAS G12C that has an IC50 of 18 nM. It was taken from patent WO2019110751A1, compound 17.

Physicochemical Properties

Molecular Weight	484.88
Exact Mass	484.111
CAS #	2349393-95-7
Related CAS #	2349393-95-7
PubChem CID	138678756
Appearance	Light yellow to yellow solid
Density	1.56±0.1 g/cm3(Predicted)
Boiling Point	733.1±60.0 °C(Predicted)
LogP	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	34
Complexity	836
Defined Atom Stereocenter Count	1
SMILES	N1C2C(=CC(Cl)=C(C3=C(O)C=CC=C3F)C=2F)C2N3CCN(C(=O)C=C)C[C@]3([H])C(=O)N(C)C=2C=1
InChi Key	NZIBTXKFKUORFB-MRXNPFEDSA-N
InChi Code	InChI=1S/C24H19ClF2N4O3/c1-3-18(33)30-7-8-31-16(11-30)24(34)29(2)15-10-28-22-12(23(15)31)9-13(25)19(21(22)27)20-14(26)5-4-6-17(20)32/h3-6,9-10,16,32H,1,7-8,11H2,2H3/t16-/m1/s1
Chemical Name	(7R)-16-chloro-14-fluoro-15-(2-fluoro-6-hydroxyphenyl)-9-methyl-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-8-one
Synonyms	KRAS G12C inhibitor 14
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: (1). This product requires protection from light (avoid light exposure) during transportation and storage.(2). Please store this product in a sealed and protected environment (e.g. under nitrogen), 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	KRas G12C (IC50 = 18 nM)
References	[1]. Tetracyclic compounds as inhibitors of g12c mutant ras protein, for use as anti-cancer agents. WO2019110751A1.

Solubility Data

Solubility (In Vitro)

DMSO: ~100 mg/mL (~206.2 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 9 mg/mL (18.56 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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 90.0 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.0624 mL	10.3118 mL	20.6237 mL
	5 mM	0.4125 mL	2.0624 mL	4.1247 mL
	10 mM	0.2062 mL	1.0312 mL	2.0624 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.