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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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Purity: ≥98%
K-Ras(G12C) inhibitor 12 is a co-valent and allosteric inhibitor of K-Ras G12C with potential antitumor activity. The mutated, oncogenic form of K-ras is known as KRAS G12C. K-Ras(G12C) inhibitor 12 functions by attaching itself to K-Ras(G12C) and joining forces with KRAS's 12C cysteine to form a covalent bond.
| Targets |
K-Ras(G12C)
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| ln Vitro |
K-Ras(G12C) inhibitor 12 is a member of a class of small molecules that binds to the common oncogenic mutant K-Ras(G12C) in an irreversible manner, preventing K-Ras(G12C) interactions. Some of them cause G12C-containing cancer cell lines to become less viable and more susceptible to apoptosis.[1]
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| ln Vivo |
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| Cell Assay |
K-Ras(G12C) inhibitor 12, an extremely potent Ras inhibitor, has an EC50 value of 0.32 μM in H1792 cells.It does not interfere with the activity of wild-type Ras; instead, it irreversibly binds to an oncogenic mutant K-Ras(G12C). K-Ras(G12C)-mutant cells show higher apoptosis and decreased viability after treatment with K-Ras(G12C) inhibitor 12 in comparison to cells without this mutation.
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| Animal Protocol |
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| References |
| Molecular Formula |
C15H17CLIN3O3
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| Molecular Weight |
449.67
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| Exact Mass |
449
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| Elemental Analysis |
C, 40.07; H, 3.81; Cl, 7.88; I, 28.22; N, 9.34; O, 10.67
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| CAS # |
1469337-95-8
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| Related CAS # |
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| PubChem CID |
73555129
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| Appearance |
Off-white to light yellow solid powder
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| Density |
1.736±0.06 g/cm3
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| Boiling Point |
680.2±55.0 °C at 760 mmHg
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| Flash Point |
365.2±31.5 °C
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| Vapour Pressure |
0.0±2.2 mmHg at 25°C
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| Index of Refraction |
1.674
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| LogP |
2.84
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
23
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| Complexity |
457
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C=CC(N1CCN(C(CNC2=CC(I)=C(Cl)C=C2O)=O)CC1)=O
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| InChi Key |
JFIFBWVNHLXJFY-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C15H17ClIN3O3/c1-2-14(22)19-3-5-20(6-4-19)15(23)9-18-12-8-11(17)10(16)7-13(12)21/h2,7-8,18,21H,1,3-6,9H2
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| Chemical Name |
1-[4-[2-(4-chloro-2-hydroxy-5-iodoanilino)acetyl]piperazin-1-yl]prop-2-en-1-one
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| Synonyms |
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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 |
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| 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) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.67 mg/mL (3.71 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 16.7 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. Solubility in Formulation 2: ≥ 1.67 mg/mL (3.71 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 16.7 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2239 mL | 11.1193 mL | 22.2385 mL | |
| 5 mM | 0.4448 mL | 2.2239 mL | 4.4477 mL | |
| 10 mM | 0.2224 mL | 1.1119 mL | 2.2239 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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