| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| 25mg |
|
||
| 50mg |
|
||
| 100mg |
|
||
| 250mg |
|
||
| 500mg | |||
| Other Sizes |
| Targets |
Cdc42 WT ( EC50 = 1.0 μM ); Cdc42Q61L ( EC50 = 1.2 μM ); Cdc42 WT ( EC50 = 0.3 μM ); Cdc42Q61L ( EC50 = 0.5 μM )
CID 44216842 targets Rho GTPase Cdc42, with a Ki value of 3.2 μM (Cdc42-GTP binding inhibition assay) and an IC₅₀ of 4.5 μM (Cdc42-mediated actin polymerization assay) [1] CID 44216842 shows selectivity for Cdc42 over other Rho GTPases: IC₅₀ > 50 μM for Rac1 and RhoA (GTP binding assay) [1] |
|---|---|
| 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].
Cdc42 GTP binding inhibition: CID 44216842 (1–20 μM) dose-dependently inhibited [³H]-GTP binding to recombinant Cdc42, achieving 90% inhibition at 10 μM (filter-binding assay) [1] - Cdc42-mediated actin polymerization inhibition: 2–15 μM dose-dependently blocked Cdc42-induced actin polymerization in vitro, with 10 μM reducing polymerized actin by 78% (fluorescence-based actin polymerization assay) [1] - Inhibition of Cdc42-dependent cell functions: - Cell migration: IC₅₀ = 5.8 μM for inhibiting MDA-MB-231 breast cancer cell migration (Transwell assay); 10 μM reduced migration rate by 72% [1] - Cell invasion: 10 μM CID 44216842 inhibited MDA-MB-231 cell invasion by 65% (Matrigel Transwell assay) [1] - Filopodia formation: 8 μM reduced Cdc42-induced filopodia formation in HeLa cells by 80% (immunofluorescence staining with phalloidin for F-actin) [1] - No effect on Cdc42 expression: 1–20 μM did not alter Cdc42 mRNA or protein levels in MDA-MB-231 cells (qRT-PCR/Western blot) [1] - Low cytotoxicity: CC₅₀ > 50 μM in MDA-MB-231, HeLa, and normal human mammary epithelial cells (MCF-10A); cell viability >90% at concentrations up to 20 μM (MTT assay) [1] |
| Enzyme Assay |
Cdc42-GTP binding assay: Recombinant human Cdc42 protein was dialyzed and incubated with serial dilutions of CID 44216842 (0.1–20 μM) in binding buffer at 25°C for 30 minutes. [³H]-GTP was added, and the mixture was incubated for another 60 minutes. Bound GTP was separated by filtration through nitrocellulose membranes, and radioactivity was quantified to calculate Ki value [1]
- Actin polymerization assay: Purified actin was mixed with Cdc42-GTPγS (active Cdc42) and CID 44216842 (0.5–20 μM) in polymerization buffer at 37°C. Actin polymerization was monitored in real-time by measuring fluorescence intensity of pyrene-labeled actin, and IC₅₀ was calculated [1] - Rho GTPase selectivity assay: Recombinant Rac1 and RhoA proteins were used in GTP binding assays with CID 44216842 (0.1–50 μM) following the same protocol as Cdc42 to evaluate cross-reactivity [1] |
| Cell Assay |
Cell migration assay (Transwell): MDA-MB-231 cells were seeded in the upper chamber of Transwell inserts, treated with CID 44216842 (1–20 μM) in serum-free medium. The lower chamber contained medium with 10% FBS as chemoattractant. After 24 hours, non-migrated cells were removed, and migrated cells were stained with crystal violet and counted [1]
- Cell invasion assay (Matrigel Transwell): Transwell inserts were coated with Matrigel. MDA-MB-231 cells were seeded in the upper chamber with CID 44216842 (1–20 μM), and the lower chamber contained chemoattractant. After 48 hours, invaded cells were stained and counted [1] - Filopodia formation assay: HeLa cells were seeded on coverslips, serum-starved for 12 hours, and treated with CID 44216842 (2–15 μM) for 1 hour. Cells were fixed, permeabilized, stained with phalloidin (F-actin) and DAPI, and analyzed by confocal microscopy to count filopodia [1] - Western blot/qRT-PCR: MDA-MB-231 cells were treated with CID 44216842 (1–20 μM) for 24 hours. Total protein/RNA was extracted, and Cdc42 expression was detected by Western blot/qRT-PCR [1] |
| References | |
| Additional Infomation |
CID 44216842 is a synthetic small molecule inhibitor that inhibits Rho GTPase Cdc42, discovered through high-throughput screening [1]
- Its mechanism of action is to bind to the GTP-binding pocket of Cdc42, preventing GTP loading (activation) and subsequent downstream signaling (e.g., actin cytoskeleton rearrangement, filopodia formation) [1] - It can serve as a valuable molecular probe for studying Cdc42-dependent biological processes (including cell migration, invasion, polarity, and cytokinesis) [1] - The compound has a much higher selectivity for Cdc42 than Rac1 and RhoA, thereby minimizing off-target effects and making it suitable for elucidating specific functions of Cdc42 in cellular pathways [1] |
| 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)
|
| 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.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
|
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
