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Purity: ≥98%
Elimusertib (BAY1895344) diHCl, the dihydrochloride salt of BAY 1895344, is a potent, selective and orally bioavailable ataxia telangiectasia and Rad3-related(ATR) inhibitor with potential antineoplastic activity. Its IC50 for inhibiting ATR is 7 nM.
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| ln Vivo |
Elimusertib causes complete tumor remission in mantle cell lymphoma models and exhibits potent anti-tumor efficacy in monotherapy in a variety of xenograft models of ovarian and colorectal cancer[2].
Elimusertib (50 mg/kg; PO; b.i.d.; 3 days on/4 days off; for 11 days) exhibits potent antitumor activity in the ATM-mutated SU-DHL-8 (ATM K1964E) human GCB-DLBCL cell line derived xenograft model in mice[3]. The platinum-resistant ATM protein low expressing CR5038 human CRC PDX model in NOD/SCID mice exhibits synergistic antitumor activity in combination with Elimusertib (20 mg/kg, and 10 mg/kg from day 14; p.o.; daily; 2 days on/5 days off; for 42 days)[3]. Elimusertib exhibits moderate oral bioavailability (rat 87%, dog 51%) following oral administration (rat and dog 0.6-1 mg/kg)[3]. Elimusertib exhibits terminal elimination half-lives (mouse 0.17 h, rat 1.3 h, and dog 1.0 h) as a result of plasma clearance (3.5, 1.2, and 0.79 L/h/kg, respectively) after intravenous administration (mouse, rat, and dog 0.3-0.5 mg/kg)[3]. |
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| Cell Assay |
The antiproliferative activity of BAY 1895344 is evaluated against a panel of 38 cancer cell lines. After 72 to 96 hours of BAY1895344 exposure, cell proliferation is evaluated. The CellTiter-Glo Cell Viability Assay or crystal violet staining are used to measure cell viability.
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| Animal Protocol |
female SCID beige mice, female C.B-17 SCID mice, male NMRI nude mice, female NMRI nude mice
50 mg/kg Oral gavage |
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| References |
| Molecular Formula |
C20H21N7O
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| Molecular Weight |
411.89
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| Elemental Analysis |
C, 58.32; H, 5.38; Cl, 8.61; N, 23.80; O, 3.88
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| CAS # |
1876467-74-1
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| Related CAS # |
Elimusertib hydrochloride;Elimusertib-d3
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| Appearance |
Yellow solid powder
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| SMILES |
C[C@@H]1COCCN1C2=NC3=C(C=CN=C3C4=CC=NN4)C(=C2)C5=CC=NN5C
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| InChi Key |
YBXRSCXGRPSTMW-CYBMUJFWSA-N
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| InChi Code |
InChI=1S/C20H21N7O/c1-13-12-28-10-9-27(13)18-11-15(17-5-8-23-26(17)2)14-3-6-21-20(19(14)24-18)16-4-7-22-25-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,25)/t13-/m1/s1
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| Chemical Name |
(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
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| Synonyms |
Elimusertib; HClBAY-1895344 HCl; BAY1895344 HCl; BAY 1895344 HCl
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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 : ~5.4 mg/mL (~14.38 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 1.09 mg/mL (2.90 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 10.9 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. Solubility in Formulation 2: 0.89 mg/mL (2.37 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 8.9 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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. View More
Solubility in Formulation 3: 4 mg/mL (10.65 mM) in 0.5% CMC-Na/saline water (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4278 mL | 12.1392 mL | 24.2783 mL | |
| 5 mM | 0.4856 mL | 2.4278 mL | 4.8557 mL | |
| 10 mM | 0.2428 mL | 1.2139 mL | 2.4278 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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