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K-Ras(G12C) inhibitor 9

allosteric inhibitor of oncogenic K-Ras(G12C) CAS# 1469337-91-4

K-Ras(G12C) inhibitor 9

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Chemical structure

K-Ras(G12C) inhibitor 9

3D structure

Chemical Properties of K-Ras(G12C) inhibitor 9

Cas No. 1469337-91-4 SDF Download SDF
PubChem ID 71761630 Appearance Powder
Formula C16H21ClIN3O4S M.Wt 513.78
Type of Compound N/A Storage Desiccate at -20°C
Solubility Soluble in DMSO
Chemical Name N-[1-[2-(4-chloro-5-iodo-2-methoxyanilino)acetyl]piperidin-4-yl]ethenesulfonamide
SMILES COC1=CC(=C(C=C1NCC(=O)N2CCC(CC2)NS(=O)(=O)C=C)I)Cl
Standard InChIKey ZGUSBCDCZNBNQT-UHFFFAOYSA-N
Standard InChI InChI=1S/C16H21ClIN3O4S/c1-3-26(23,24)20-11-4-6-21(7-5-11)16(22)10-19-14-9-13(18)12(17)8-15(14)25-2/h3,8-9,11,19-20H,1,4-7,10H2,2H3
General tips For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months.
We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months.
Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it.
About Packaging 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial.
2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial.
3. Try to avoid loss or contamination during the experiment.
Shipping Condition Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request.

K-Ras(G12C) inhibitor 9 Dilution Calculator

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Preparing Stock Solutions of K-Ras(G12C) inhibitor 9

1 mg 5 mg 10 mg 20 mg 25 mg
1 mM 1.9464 mL 9.7318 mL 19.4636 mL 38.9272 mL 48.659 mL
5 mM 0.3893 mL 1.9464 mL 3.8927 mL 7.7854 mL 9.7318 mL
10 mM 0.1946 mL 0.9732 mL 1.9464 mL 3.8927 mL 4.8659 mL
50 mM 0.0389 mL 0.1946 mL 0.3893 mL 0.7785 mL 0.9732 mL
100 mM 0.0195 mL 0.0973 mL 0.1946 mL 0.3893 mL 0.4866 mL
* Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations.

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Background on K-Ras(G12C) inhibitor 9

Target: K-Ras(G12C)

IC50: N/A

K-Ras(G12C) inhibitor 9 is an allosteric inhibitor of oncogenic K-Ras(G12C) [1]. Ras proteins belong to the large family of GTPase enzymes which are essential to transduce extracellular signals into diverse cellular responses including proliferation, differentiation, and apoptosis. About 30% of all human cancers contain activating Ras mutations, making them one of the most common known genetic molecular drivers of cancer [2]. Therefore, K-Ras signaling have potential therapeutic advantages in cancer. K-Ras(G12C) is present in roughly 10–20% of Ras-driven cancers and in an estimated 50% of Ras-mutated lung adenocarcinomas [3].

In vitro: K-Ras(G12C) inhibitor 9 belongs to a series of small molecules, which irreversibly compete with GTP and GDP for binding to a common oncogenic K-Ras(G12C) mutant and blocked the association of B-Raf and C-Raf with K-Ras(G12C). K-Ras(G12C) inhibitor 9 (10 μM) decreased viability and increased apoptosis of G12C mutations-containing lung cancer cell lines (H1792, Calu-1, H358, and H23) [1].

In vivo: N/A

References:
1.  Ostrem JM, Peters U, Sos ML, Wells JA, Shokat KM. K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions. Nature. 2013;503(7477):548-51.
2.  Hunter JC, Gurbani D, Ficarro SB, Carrasco MA, Lim SM, Choi HG, et al. In situ selectivity profiling and crystal structure of SML-8-73-1, an active site inhibitor of oncogenic K-Ras G12C. Proc Natl Acad Sci U S A. 2014;111(24):8895-900.
3.  Lim SM, Westover KD, Ficarro SB, Harrison RA, Choi HG, Pacold ME, et al. Therapeutic targeting of oncogenic K-Ras by a covalent catalytic site inhibitor. Angew Chem Int Ed Engl. 2014;53(1):199-204.

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K-Ras(G12C) inhibitor 9 is an allosteric inhibitor of oncogenic K-Ras(G12C).

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