| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| Other Sizes |
| Targets |
The target is the KRAS-SOS1 protein–protein interaction. SOS1 is a guanine nucleotide exchange factor that activates KRAS by promoting GDP-to-GTP exchange; BAY-293 binds SOS1 and disrupts its interaction with KRAS, blocking RAS activation and downstream MAPK signaling. (S)-BAY-293 is the less active enantiomer and serves as a negative control to validate SOS1-mediated effects.
|
|---|---|
| ln Vitro |
BAY-293 inhibits the KRAS-SOS1 interaction with IC50 21 nM and suppresses RAS activation in HeLa cells with submicromolar IC50. (S)-BAY-293 is the negative control and shows substantially weaker activity; cellular IC50 values for (S)-BAY-293 are 1,840 nM (Calu-1) and 7,500 nM (K562), compared with the more potent (R)-enantiomer, confirming its use as a control.
|
| ln Vivo |
No quantitative in vivo efficacy data for (S)-BAY-293 are prominently disclosed; as a negative control, it is not expected to show robust in vivo activity. BAY-293 has been characterized in cellular and in vivo studies, but (S)-BAY-293 is used primarily to confirm target specificity in vitro.
|
| Enzyme Assay |
KRAS-SOS1 interaction inhibition is measured by a TR-FRET or AlphaScreen assay using recombinant KRAS and SOS1 proteins; compound is serially diluted, and IC50 values are derived from dose-response curves (BAY-293 IC50 21 nM; (S)-BAY-293 is substantially less potent).
|
| Cell Assay |
Cellular RAS activation is assessed by measuring GTP-loaded RAS (e.g., RAS-GTP pull-down or ELISA) in KRAS-mutant cancer cells after compound treatment; downstream pERK inhibition is measured by immunoblotting or ELISA. (S)-BAY-293 is used as a negative control at matched concentrations.
|
| Animal Protocol |
No compound-specific in vivo protocol is publicly standardized for (S)-BAY-293, as it is a negative control rather than a development candidate. BAY-293 has been evaluated in KRAS-mutant tumor models, but (S)-BAY-293 would be used only for in vitro target validation.
|
| References |
| Molecular Formula |
C25H28N4O2S
|
|---|---|
| Molecular Weight |
448.580424308777
|
| Exact Mass |
448.193
|
| CAS # |
2244904-69-4
|
| Related CAS # |
BAY-293;2244904-70-7
|
| PubChem CID |
138973681
|
| Appearance |
White to off-white solid powder
|
| LogP |
4.8
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
7
|
| Rotatable Bond Count |
8
|
| Heavy Atom Count |
32
|
| Complexity |
584
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
CC1=NC2=CC(=C(C=C2C(=N1)N[C@@H](C)C3=CC(=CS3)C4=CC=CC=C4CNC)OC)OC
|
| InChi Key |
WEGLOYDTDILXDA-HNNXBMFYSA-N
|
| InChi Code |
InChI=1S/C25H28N4O2S/c1-15(24-10-18(14-32-24)19-9-7-6-8-17(19)13-26-3)27-25-20-11-22(30-4)23(31-5)12-21(20)28-16(2)29-25/h6-12,14-15,26H,13H2,1-5H3,(H,27,28,29)/t15-/m0/s1
|
| Chemical Name |
6,7-dimethoxy-2-methyl-N-[(1S)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine
|
| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
|
|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2293 mL | 11.1463 mL | 22.2926 mL | |
| 5 mM | 0.4459 mL | 2.2293 mL | 4.4585 mL | |
| 10 mM | 0.2229 mL | 1.1146 mL | 2.2293 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
