| Size | Price | |
|---|---|---|
| 100mg | ||
| 500mg |
| Targets |
KRAS
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|---|---|
| ln Vitro |
In secondary programming, KRA-533 (10 μM; 48 hours; HCC827 cells) increases KRAS activity [1]. In a dose-dependent way, KRA-533 (0~15 μM; 48 hours; H157 cells) increases KRAS activity, which is linked to elevated pERK levels, variations in active caspase 3/pro-caspase 3, and PARP-related vulnerabilities, ultimately resulting in cell disinfection [1]. More than cells lacking KRAS mutations, KRA-533 (10 μM; 10 days; H292 cells) causes cell growth inhibition. Direct binding of KRA-533 (5~15 μM) to WT, G12C, G12D, and G13D mutant KRAS proteins is possible. KRA-533 dose-dependently raises WT KRAS activity. The activity of active KRAS mutants is further increased by -533 [1].
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| ln Vivo |
KRA-533 (0~30 mg/kg; i.p.; 28 days) reduces tumor development in lung cancer mutant KRAS xenografts in a dose-dependent manner and increases histiocyte labeling and autophagy in a dose-dependent manner KRA-533 Doses between 7.5 mg/kg and 30 mg/kg indicate excellent therapeutic index [1].
|
| Cell Assay |
Western blot analysis [1]
Cell Types: HCC827 cells Tested Concentrations: 10μM Incubation Duration: 48 hrs (hours) Experimental Results: KRAS activity was enhanced to a greater extent. Apoptosis analysis [1] Cell Types: H157 Cell Tested Concentrations: 0~15 μM Incubation Duration: 48 hrs (hours) Experimental Results: KRAS activity was enhanced in a dose-dependent manner, which was related to pERK levels, active caspase 3/procaspase 3 ratio and PARP cleavage, Cause cell apoptosis. |
| Animal Protocol |
Animal/Disease Models: Nu/Nu nude mice (mutant KRAS xenograft) [1]
Doses: 0~ [1]. 30 mg/kg Route of Administration: intraperitoneal (ip) injection; 28 days Experimental Results: Inhibited tumor growth in lung cancer mutant KRAS xenografts in a dose-dependent manner and induced apoptosis and autophagy in tumor tissue in a dose-dependent manner. |
| References |
| Molecular Formula |
C13H16BRNO3
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|---|---|
| Molecular Weight |
314.17504
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| Exact Mass |
313.031
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| Elemental Analysis |
C, 49.70; H, 5.13; Br, 25.43; N, 4.46; O, 15.28
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| CAS # |
10161-87-2
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| Related CAS # |
10161-87-2
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| PubChem CID |
270269
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| Appearance |
White to off-white solid powder
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| Density |
1.428g/cm3
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| Boiling Point |
530.4ºC at 760 mmHg
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| Flash Point |
274.6ºC
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| Vapour Pressure |
4.43E-12mmHg at 25°C
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| Index of Refraction |
1.574
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| LogP |
2.609
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
18
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| Complexity |
275
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| Defined Atom Stereocenter Count |
0
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| SMILES |
BrCC(NCCCCC1C=CC(C(O)=O)=CC=1)=O
|
| InChi Key |
WZQJLTLURXNPQG-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C13H16BrNO3/c14-9-12(16)15-8-2-1-3-10-4-6-11(7-5-10)13(17)18/h4-7H,1-3,8-9H2,(H,15,16)(H,17,18)
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| Chemical Name |
4-[4-[(2-bromoacetyl)amino]butyl]benzoic acid
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| Synonyms |
KRA-533; KRA533; KRA 533
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
DMSO: ~250 mg/mL (~795.7 mM）
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|---|---|
| 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 | 3.1829 mL | 15.9144 mL | 31.8289 mL | |
| 5 mM | 0.6366 mL | 3.1829 mL | 6.3658 mL | |
| 10 mM | 0.3183 mL | 1.5914 mL | 3.1829 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.
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