| Field | Specification |
|---|---|
| Target | |
| Alternative names | BAY 1895344 |
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C20H21N7O |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
Elimusertib, also known as BAY 1895344, is a potent, orally active, selective ATR inhibitor with an IC50 of 7 nM. It has anti-tumor activity[1][2] and can be used to study solid tumors and lymphomas[3]. It is supplied as a light yellow to yellow solid (C20H21N7O, MW 375.43) at 99.73% purity.
Physical & Chemical Properties
| CAS Number | 1876467-74-1 |
|---|---|
| Molecular Formula | C20H21N7O |
| Molecular Weight | 375.43 g/mol |
| Purity | 99.73% |
| Appearance | Solid |
| Color | Light yellow to yellow |
| SMILES | CN1N=CC=C1C2=C(C=CN=C3C4=CC=NN4)C3=NC(N5[C@H](C)COCC5)=C2 |
| Target | ATR |
| Signaling Pathway | Cell Cycle/DNA Damage; PI3K/Akt/mTOR |
| Solubility | In Vitro: DMSO: 5.4 mg/mL (14.38 mM; Requires sonication; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO) |
| Storage | Powder: -20°C, 3 years; 4°C, 2 years. In solvent: -80°C, 6 months; -20°C, 1 month. |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Biological Activity
IC50 & Target[1]
|
ATR 7 nM (IC50) |
Literature Cited
Sources cited in this description and in the In Vitro & In Vivo Data tab. Peer-reviewed publications that used this product are listed under References.
[1]. Ulrich T. Luecking, et al. Abstract 983: Identification of potent, highly selective and orally available ATR inhibitor BAY 1895344 with favorable PK properties and promising efficacy in monotherapy and combination in preclinical tumor models. Cancer Research. July 2017 Volume 77, Issue 13 Supplement.
[2]. Antje Margret Wengner, et al. Abstract 836: ATR inhibitor BAY 1895344 shows potent anti-tumor efficacy in monotherapy and strong combination potential with the targeted alpha therapy Radium-223 dichloride in preclinical tumor models. Cancer Research. July 2017 Volume 77, Issue 13 Supplement
Safety
For Research Use Only. Not for use in diagnostic or therapeutic procedures, and not for human or veterinary use. Handle in accordance with the Safety Data Sheet and your institution's chemical hygiene plan.
In Vitro
| Solvent | Solubility | Notes |
|---|---|---|
| DMSO | 5.4 mg/mL (14.38 mM) | requires sonication; use freshly opened DMSO (absorbed moisture lowers solubility) |
Aliquot the stock solution and store it at -80°C (up to 6 months) or -20°C (up to 1 month); avoid repeated freeze-thaw cycles.
In Vivo
Choose the formulation that suits the animal model and route of administration; percentages are volume ratios of the final working solution. Start from a clear DMSO stock (see In Vitro above), add the co-solvents one at a time in the order listed, mixing after each addition, and prepare the working solution fresh on the day of dosing. If precipitation or phase separation occurs, gentle warming or sonication can help.
Protocol 1
| Composition | 10% DMSO + 90% (20% SBE-β-CD in saline) |
|---|---|
| Result | 1.09 mg/mL (2.90 mM); suspension; requires sonication |
| How to prepare | Gives a suspension at 1.09 mg/mL. The suspension is suitable for oral and intraperitoneal dosing. For 1 mL of working solution: add 100 μL DMSO stock (10.9 mg/mL) to 900 μL 20% SBE-β-CD in saline. 20% SBE-β-CD in saline: dissolve 2 g SBE-β-CD powder in 10 mL saline until clear (4°C, store up to one week). |
Protocol 2
| Composition | 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% saline |
|---|---|
| Result | 0.89 mg/mL (2.37 mM); suspension; requires sonication |
| How to prepare | Gives a suspension at 0.89 mg/mL. The suspension is suitable for oral and intraperitoneal dosing. For 1 mL of working solution: add 100 μL DMSO stock (8.9 mg/mL) to 400 μL PEG300; then 50 μL Tween-80; then 450 μL saline to bring the volume to 1 mL. Saline: dissolve 0.9 g sodium chloride in ddH2O and make up to 100 mL. |
Direct preparation of the working solution
These formulations are prepared directly, without a DMSO stock; use them promptly after preparation.
Protocol 3
| Composition | 0.5% CMC-Na/saline water |
|---|---|
| Result | 4 mg/mL (10.65 mM); suspension; requires sonication and adjust pH to 3 with HCl |
Data provided by the manufacturer.
In Vitro
Elimusertib potently inhibits proliferation across a broad spectrum of human tumor cell lines, with a median IC50 of 78 nM[1]. It potently suppresses hydroxyurea-induced H2AX phosphorylation (IC50: 36 nM)[1]. Selectivity of Elimusertib against mTOR is good (ratio of IC50 values: mTOR/ATR 61)[3], and selectivity against other related kinases is high, such as DNA-PK (IC50: 332 nM) and ATM (IC50: 1420 nM), as well as PI3K (IC50: 3270 nM)[3]. In vitro, Elimusertib has potent antiproliferative activity against various cancer cell lines, 25 for example the CRC lines HT-29 (IC50: 160 nM) and LoVo (IC50: 71 nM) and the B-cell lymphoma line SU-DHL-8 (IC50: 9 nM)[3].
In Vivo
Elimusertib shows potent anti-tumor efficacy as monotherapy across several xenograft models of ovarian and colorectal cancer, and produces complete tumor remission in models of mantle cell lymphoma[2]. Elimusertib (50 mg/kg; p.o.; b.i.d.; 3 days on/4 days off; for 11 days) displays strong antitumor efficacy in a mouse xenograft model derived from the human GCB-DLBCL cell line SU-DHL-8 (ATM K1964E), which carries an ATM mutation[3]. Elimusertib (20 mg/kg, then 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), gives synergistic antitumor activity in NOD/SCID mice bearing the CR5038 human CRC PDX model, which is platinum-resistant and low in ATM protein[3]. Elimusertib shows moderate oral bioavailability (rat 87%, dog 51%) after oral dosing (rat and dog 0.6-1 mg/kg)[3]. Terminal elimination half-lives for Elimusertib are (mouse 0.17 h, rat 1.3 and, dog 1.0 h), owing to plasma clearance (3.5, 1.2, and 0.79 L/h/kg respectively), after intravenous dosing (mouse, rat and dog 0.3-0.5 mg/kg)[3].
| Animal Model | Female C.B-17 SCID mice, SU-DHL-8 GCB-DLBCL xenograft model[3] |
|---|---|
| Dosage | 50 mg/kg |
| Administration | Oral administration, b.i.d., 3 days on/4 days off, for 11 days |
| Result | Inhibited tumor area. |
| Animal Model | Male Wistar rats[3] |
|---|---|
| Dosage | 0.3-0.5 mg/kg for i.v.; 0.6-1 mg/kg for oral (Pharmacokinetic Analysis) |
| Administration | Intravenous injection and oral administration |
| Result | Oral bioavailability (87%), T1/2 (1.3 h). |
| Animal Model | Female beagle dogs[3] |
|---|---|
| Dosage | 0.3-0.5 mg/kg for i.v.; 0.6-1 mg/kg for oral (Pharmacokinetic Analysis) |
| Administration | Intravenous injection and oral administration |
| Result | Oral bioavailability (51%), T1/2 (1.0 h). |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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LIG1 Loss in TP53-mutant Triple Negative Breast Cancer Rewires DNA Repair and Confers Sensitivity to PARP-ATR Inhibitor Combinations. Mol Cancer Ther 2026 Jul 15:10.1158/1535-7163.MCT-26-0182. PMID: 42456172
