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Purity: ≥98%
Elimusertib (previously known as BAY-1895344) is an orally bioavailable, highly selective ATR (ataxia telangiectasia and Rad3-related) inhibitor that may have anticancer effects. Its IC50 value for inhibiting ATR is 7 nM. With an IC50 of 78 nM, BAY 1895344 exhibits strong anti-proliferative activity in vitro against a variety of human cancer cell lines. Since 2017, it has been studied in cancer treatment clinical trials. BAY 1895344 effectively inhibited hydroxyurea-induced H2AX phosphorylation in cellular mechanistic assays (IC50 = 36 nM). Additionally, BAY 1895344 demonstrated no activity in the hERG patch-clamp assay and significantly improved bioavailability in all species. Additionally, BAY 1895344 showed extremely encouraging efficacy in combination with DNA damage-inducing therapies as well as monotherapy in tumor models lacking DNA damage.
| Targets |
ATR (IC50 = 7 nM)
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| ln Vitro |
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]. In the platinum-resistant ATM protein low expressing CR5038 human CRC PDX model in NOD/SCID mice, elmusertib (20 mg/kg, and 10 mg/kg from day 14; p.o.; daily; 2 days on/5 days off; for 42 days) combined with carboplatin (40 mg/kg; i.p.; daily; 1 day on/6 days off) results in synergistic antitumor activity[3]. Following oral administration (rat and dog, 0.6-1 mg/kg), elmusertib has a moderate oral bioavailability (rat 87%, dog 51%)[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]. |
| ln Vivo |
Elimusertib potently inhibits the proliferation of a broad spectrum of human tumor cell lines with a median IC50 of 78 nM[1].
Elimusertib has a strong inhibitory effect on hydroxyurea-induced phosphorylation of H2AX (IC50: 36 nM)[1]. Elimusertib exhibits strong mTOR selectivity (mTOR/ATR ratio of 61; IC50 values)[3]. Elimusertib exhibits high selectivity against other related kinases, including DNA-PK, ATM, and PI3K (IC50 values of 332 nM, 1420 nM, and 3270 nM, respectively)[3]. Elimusertib exhibits strong antiproliferative activity in vitro against a number of cancer cell lines, including the CRC cell lines HT-29 and LoVo as well as the B-cell lymphoma cell line SU-DHL-8 (IC50: 9 nM)[3]. |
| Cell Assay |
A panel of 38 cancer cell lines is used to assess BAY 1895344's antiproliferative activity. After being exposed to BAY1895344 for 72 to 96 hours, cell proliferation is evaluated. The CellTiter-Glo Cell Viability Assay or crystal violet staining are used to determine the viability of cells.
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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 |
| References |
| Molecular Formula |
C20H22CLN7O
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|---|---|---|
| Molecular Weight |
375.43
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| Exact Mass |
375.1808
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| Elemental Analysis |
C, 63.98; H, 5.64; N, 26.12; O, 4.26
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| CAS # |
1876467-74-1
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| Related CAS # |
Elimusertib hydrochloride;Elimusertib-d3
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| Appearance |
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 |
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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 |
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| 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(14.4 mM;Need ultrasonic)
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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 | 2.6636 mL | 13.3181 mL | 26.6361 mL | |
| 5 mM | 0.5327 mL | 2.6636 mL | 5.3272 mL | |
| 10 mM | 0.2664 mL | 1.3318 mL | 2.6636 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 |
| NCT05071209 | Active Recruiting |
Drug: Elimusertib | Recurrent Lymphoma Refractory Lymphoma |
National Cancer Institute (NCI) |
December 3, 2021 | Phase 1 Phase 2 |
| NCT04535401 | Active Recruiting |
Drug: Elimusertib Drug: Fluorouracil |
Advanced Gastric Carcinoma Metastatic Gastric Carcinoma |
National Cancer Institute< (NCI) |
August 13, 2021 | Phase 1 |
| NCT04267939 | Recruiting | Drug: Elimusertib (BAY1895344) Drug: Niraparib |
Advanced Solid Tumors (Excluding Prostate Cancer) Ovarian Cancer |
Bayer | February 26, 2020 | Phase 1 |
| NCT04491942 | Recruiting | Drug: Cisplatin Drug: Elimusertib |
Advanced Penile Carcinoma Advanced Gastric Carcinoma |
National Cancer Institute< (NCI) |
February 1, 2021 | Phase 1 |
| NCT03188965 | Recruiting | Drug: Elimusertib (BAY1895344) |
Advanced Solid Tumor Mantle Cell Lymphoma |
Bayer | July 6, 2017 | Phase 1 |
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