| Size | Price | |
|---|---|---|
| 100mg | ||
| 250mg | ||
| 500mg |
| Targets |
KRAS(G12C) (IC50 = 0.012 μM)
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|---|---|
| ln Vitro |
Opnurasib (NVP-JDQ443) inhibits KRAS's GDP-bound inactive conformation[1].
Opnurasib, with IC50 values of 0.018 and 0.063 μM, respectively, promotes the proliferation of the KRASG12C-mutated cell lines NCI-H358 and NCI-H2122, as well as dose-dependent reductions of phosphorylated ERK (pERK) levels[2]. Opnurasib inhibits GDP-bound KRASG12C with low reversible binding affinity to the RAS switch II pocket in a covalent and selective manner. It also prevents the growth of cell lines that are double-mutant for KRAS and KRASG12C, as well as G12C/H95, G12C/R68S, and G12C/Y96[2]. |
| ln Vivo |
Opnurasib (10-100 mg/kg, Orally, daily for 14 days) exhibits antitumor activity in KRAS G12C-mutated CDX models[2].
Opnurasib (Orally, 100 mg/kg, daily (JDQ443) + 7.5 mg/kg, twice daily (TNO155), for 36 days) exhibits higher cell growth inhibition or cell killing than does single-agent JDQ443 when combined with TNO155[2]. In PDX models of colorectal tumors and non-small cell lung cancer, opracitasin produces distinct antitumor responses that are enhanced by concurrent treatment with additional agents[2]. |
| Cell Assay |
Cell Line: Ba/F3 cells
Concentration: 0, 0.3, 1 μM Incubation Time: 30 min, 4 h Result: Inhibited signaling (pERK) and proliferation of the KRAS G12C/H95 double mutants G12C/H95R and G12C/H95Q. |
| Animal Protocol |
KRAS G12C tumor-bearing nude mice (MIA PaCa-2 (PDAC); NCIH2122, LU99, HCC44, NCI-H2030 (NSCLC); and KYSE410 (esophageal cancer))
10, 30, 100 mg/kg Orally, daily for 14 days |
| References |
| Molecular Formula |
C29H28CLN7O
|
|---|---|
| Molecular Weight |
526.03
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| Exact Mass |
525.20
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| Elemental Analysis |
C, 66.22; H, 5.37; Cl, 6.74; N, 18.64; O, 3.04
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| CAS # |
2653994-08-0
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| Related CAS # |
(S)-JDQ-443;2653994-10-4
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| Appearance |
Solid powder
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| SMILES |
CC1=CC2=C(C=NN2)C(=C1Cl)C3=C(N(N=C3C4=CC5=C(C=C4)N(N=C5)C)C6CC7(C6)CN(C7)C(=O)C=C)C
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| InChi Key |
AZUYLZMQTIKGSC-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C29H28ClN7O/c1-5-24(38)36-14-29(15-36)10-20(11-29)37-17(3)25(26-21-13-31-33-22(21)8-16(2)27(26)30)28(34-37)18-6-7-23-19(9-18)12-32-35(23)4/h5-9,12-13,20H,1,10-11,14-15H2,2-4H3,(H,31,33)
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| Chemical Name |
1-[6-[4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-(1-methylindazol-5-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]prop-2-en-1-one
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| Synonyms |
Opnurasib; JDQ-443; JDQ443; JDQ 443; NVP-JDQ443; NVP JDQ443; NVPJDQ443
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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)
|
| Solubility (In Vitro) |
DMSO: ~100 mg/mL (~190.1 mM)
Ethanol: ~100 mg/mL (~190.1 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.95 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 20.8 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: ≥ 2.08 mg/mL (3.95 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 | 1.9010 mL | 9.5052 mL | 19.0103 mL | |
| 5 mM | 0.3802 mL | 1.9010 mL | 3.8021 mL | |
| 10 mM | 0.1901 mL | 0.9505 mL | 1.9010 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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