CID44216842 (Cdc42-IN-1) is a potent and specific Cdc42 inhibitor. In GTP binding assay, the EC50 of CID44216842 against Cdc42 wild type and Cdc42Q61L mutant was 1.0 and 1.2 μM, respectively. In the GDP binding assay, the EC50 of CID44216842 against Cdc42 wild type and Cdc42Q61L mutant was 0.3 and 0.5 μM, respectively. Can be used as molecular probes.

Physicochemical Properties

Molecular Formula	C22H20BRN3O3S
Molecular Weight	486.38
Exact Mass	485.04
CAS #	1222513-26-9
PubChem CID	44216842
Appearance	White to off-white solid powder
LogP	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	30
Complexity	710
Defined Atom Stereocenter Count	0
SMILES	BrC1C=CC(=CC=1)C1CC(C2C=CC=C(C=2)OC)=NN1C1C=CC(=CC=1)S(N)(=O)=O
InChi Key	LPUYDLXQQMWRLR-UHFFFAOYSA-N
InChi Code	InChI=1S/C22H20BrN3O3S/c1-29-19-4-2-3-16(13-19)21-14-22(15-5-7-17(23)8-6-15)26(25-21)18-9-11-20(12-10-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)
Chemical Name	4-[3-(4-bromophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
Synonyms	Cdc42-IN-1; CID44216842; CID-44216842; CID 44216842
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

Targets	Cdc42 WT ( EC50 = 1.0 μM ); Cdc42Q61L ( EC50 = 1.2 μM ); Cdc42 WT ( EC50 = 0.3 μM ); Cdc42Q61L ( EC50 = 0.5 μM )
ln Vitro	CID44216842 blocks GTP binding to Cdc42 and its mutant in a dose-dependent manner. The inhibition is exclusive to Cdc42 and has no effect on other members of the same family of GTPases, such as Rac and Rho[1].
References	[1]. Characterization of a Cdc42 Protein Inhibitor and Its Use as a Molecular Probe. J Biol Chem. 2013 Mar 22;288(12):8531-43.

Solubility Data

Solubility (In Vitro)

DMSO: 97~250 mg/mL (199.4~514.0 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (4.28 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 20.8 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 2: ≥ 2.08 mg/mL (4.28 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 20.8 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	2.0560 mL	10.2800 mL	20.5601 mL
	5 mM	0.4112 mL	2.0560 mL	4.1120 mL
	10 mM	0.2056 mL	1.0280 mL	2.0560 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.