Size | Price | Stock | Qty |
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5mg |
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10mg |
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25mg |
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50mg |
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Other Sizes |
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Purity: ≥98%
Rineterkib (LTT-462; ERK-IN-1; ERK-IN1), the compound B extracted from WO2018051306A1, is a novel and potent RAF and ERK1/2 inhibitor with anticancer activity. It has the potential to treat a proliferative disease marked by mutations that activate the MAPK pathway. The focus of the activity is on the treatment of KRAS-mutant non-small cell lung cancer (NSCLC), BRAF-mutant NSCLC, KRAS-mutant pancreatic cancer, KRAS-mutant colorectal cancer (CRC), and KRAS-mutant ovarian cancer.
Targets |
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ln Vivo |
ERK-IN-1 (compound B) (50, 75 mg/kg, p.o., qd/q2d, 27 days), in the Calu-6 human NSCLC subcutaneous tumor xenograft model in mice, treatment significantly reduces the tumor volume.
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Animal Protocol |
Calu-6 NSCLC xenograft tumor models in mice[1].
50, 75 mg/kg. Orally either daily (qd) or every other day (q2d) for 27 days. |
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References | ||
Additional Infomation |
Rineterkib is an inhibitor of extracellular signal-regulated kinase (ERK) being investigated in NCT04097821 (A Randomized, Open-label, Phase I/II Open Platform Study Evaluating Safety and Efficacy of Novel Ruxolitinib Combinations in Myelofibrosis Patients).
Rineterkib is an orally available inhibitor of extracellular signal-regulated kinase (ERK), with potential antineoplastic activity. Upon oral administration, rineterkib binds to and inhibits ERK, thereby preventing the activation of ERK-mediated signal transduction pathways. This results in the inhibition of ERK-dependent tumor cell proliferation and survival. The mitogen-activated protein kinase (MAPK)/ERK pathway is upregulated in numerous tumor cell types and plays a key role in tumor cell proliferation, differentiation and survival. |
Molecular Formula |
C26H27BRF3N5O2
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Molecular Weight |
578.4241
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Exact Mass |
577.13
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Elemental Analysis |
C, 53.99; H, 4.71; Br, 13.81; F, 9.85; N, 12.11; O, 5.53
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CAS # |
1715025-32-3
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Related CAS # |
Rineterkib hydrochloride;1715025-34-5
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PubChem CID |
118045847
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Appearance |
White to light yellow solid powder
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LogP |
3.1
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Hydrogen Bond Donor Count |
4
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Hydrogen Bond Acceptor Count |
9
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Rotatable Bond Count |
7
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Heavy Atom Count |
37
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Complexity |
757
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Defined Atom Stereocenter Count |
4
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SMILES |
CNC[C@H](C1=CC(=CC(=C1)Br)F)NC(=O)C2=C(C=C(C=C2)C3=NC(=CN=C3N)[C@H]4CC[C@@H]([C@H](C4)F)O)F
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InChi Key |
YFCIFWOJYYFDQP-PTWZRHHISA-N
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InChi Code |
InChI=1S/C26H27BrF3N5O2/c1-32-11-21(15-6-16(27)10-17(28)7-15)35-26(37)18-4-2-14(9-19(18)29)24-25(31)33-12-22(34-24)13-3-5-23(36)20(30)8-13/h2,4,6-7,9-10,12-13,20-21,23,32,36H,3,5,8,11H2,1H3,(H2,31,33)(H,35,37)/t13-,20-,21+,23-/m0/s1
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Chemical Name |
4-[3-amino-6-[(1S,3S,4S)-3-fluoro-4-hydroxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-bromo-5-fluorophenyl)-2-(methylamino)ethyl]-2-fluorobenzamide
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Synonyms |
ERK-IN 1; ERK IN-1; ERK-IN-1
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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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
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: ~200 mg/mL (~345.8 mM)
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Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (8.64 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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 50.0 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.  (Please use freshly prepared in vivo formulations for optimal results.) |
Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
1 mM | 1.7288 mL | 8.6442 mL | 17.2885 mL | |
5 mM | 0.3458 mL | 1.7288 mL | 3.4577 mL | |
10 mM | 0.1729 mL | 0.8644 mL | 1.7288 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.
NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
NCT04097821 | Active Recruiting |
Drug: NIS793 Drug: Rineterkib |
Myelofibrosis | Novartis Pharmaceuticals | September 26, 2019 | Phase 1 Phase 2 |