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| 25mg |
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Purity: ≥98%
ARS-1323 (ARS1323) is the racemic mixture of ARS-1620, which is a novel and potent inhibitor of mutant K-ras G12C with anticancer activity. ARS-1620 is a novel, potent, oral and covalent inhibitor that is oral and has a high potency and selectivity for KRASG12C. It was found using structure-based design, and it has the ability to cause tumor regression by achieving fast and long-lasting in vivo target occupancy. Recent research using allele-specific covalent targeting of Cys-12 in the vicinity of an inducible allosteric switch II pocket (S-IIP) revealed that KRASG12C may be druggable. Since the S-IIP can only be accessed in the GDP-bound state, the approach's success depends on KRASG12C actively cycling between its active-GTP and inactive-GDP conformations. It is unclear whether this tactic would work in vivo, despite the fact that it was successful in inhibiting mutant KRAS in vitro. In order to cause tumor regression, ARS-1620 can quickly and consistently occupy its target in vivo. The dissection of oncogenic KRAS dependency was carried out using ARS-1620, which revealed that KRAS dependency in vivo is greatly underestimated in monolayer culture formats. ARS-1620 is a novel class of KRASG12C-specific inhibitors with promising therapeutic potential, and this study shows that mutant KRAS can be selectively targeted in vivo.
| Targets |
KRas G12C
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|---|---|
| References | |
| Additional Infomation |
ARS-1620 is a qinazoline derivative carrying chloro and fluoro substituents at positions 6 and 8 respectively, a 2-fluoro-6-hydroxyphenyl group at position 7, and a 4-(prop-2-enoyl)piperazin-1-yl group at position 4. A potent, selective, and orally bioavailable covalent KRAS-G12C inhibitor, it inhibits the protein coding gene KRAS (Kirsten rat sarcoma virus) with high potency in cells and animals. It has a role as an inhibitor, an antiviral agent and an antineoplastic agent.
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| Molecular Formula |
C21H17CLF2N4O2
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|---|---|
| Molecular Weight |
430.835090398788
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| Exact Mass |
430.1
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| CAS # |
1698024-73-5
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| Related CAS # |
ARS-1323-alkyne; 2436544-27-1; ARS-1630; 1698055-86-5; ARS-1620; 1698055-85-4
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| PubChem CID |
137003167
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| Appearance |
White to off-white solid powder
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| LogP |
4
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
30
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| Complexity |
636
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(N1CCN(C2=C3C(=NC=N2)C(F)=C(C2=C(O)C=CC=C2F)C(Cl)=C3)CC1)(=O)C=C
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| InChi Key |
ZRPZPNYZFSJUPA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H17ClF2N4O2/c1-2-16(30)27-6-8-28(9-7-27)21-12-10-13(22)17(19(24)20(12)25-11-26-21)18-14(23)4-3-5-15(18)29/h2-5,10-11,29H,1,6-9H2
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| Chemical Name |
1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
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| Synonyms |
ARS1323; ARS-1323; ARS 1323
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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: ~100 mg/mL (~232.1 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.80 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 25.0 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: ≥ 2.5 mg/mL (5.80 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 25.0 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (5.80 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3210 mL | 11.6052 mL | 23.2105 mL | |
| 5 mM | 0.4642 mL | 2.3210 mL | 4.6421 mL | |
| 10 mM | 0.2321 mL | 1.1605 mL | 2.3210 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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