2. Cell Cycle/DNA Damage PI3K/Akt/mTOR
  3. ATM/ATR
  4. Elimusertib

Elimusertib  (Synonyms: BAY 1895344)

Cat. No.: HY-101566 Purity: 99.99%
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Elimusertib (BAY-1895344) is a potent, orally active and selective ATR inhibitor with an IC50 of 7 nM. Elimusertib has anti-tumor activity. Elimusertib can be used for the research of solid tumors and lymphomas.

For research use only. We do not sell to patients.

Elimusertib Chemical Structure

Elimusertib Chemical Structure

CAS No. : 1876467-74-1

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Based on 7 publication(s) in Google Scholar

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Elimusertib Related Antibodies

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Description

Elimusertib (BAY-1895344) is a potent, orally active and selective ATR inhibitor with an IC50 of 7 nM. Elimusertib has anti-tumor activity[1][2]. Elimusertib can be used for the research of solid tumors and lymphomas[3].

IC50 & Target[1]

ATR

7 nM (IC50)

Cellular Effect
Cell Line Type Value Description References
A549 IC50
0.09 μM
Compound: BAY1895344
Cytotoxicity against human A549 cells assessed as reduction in cell viability measured after 72 hrs by CellTiter 96 AQueous One Solution Cell Proliferation assay
Cytotoxicity against human A549 cells assessed as reduction in cell viability measured after 72 hrs by CellTiter 96 AQueous One Solution Cell Proliferation assay
[PMID: 35191694]
HEK293 IC50
> 10 μM
Compound: BAY-1895344
Inhibition of recombinant human ERG stably expressed in HEK293 cells at -80 mV by whole cell voltage clamp method
Inhibition of recombinant human ERG stably expressed in HEK293 cells at -80 mV by whole cell voltage clamp method
[PMID: 32502336]
HT-29 IC50
160 nM
Compound: BAY-1895344
Antiproliferative activity against human HT-29 cells assessed as reduction in cell viability measured after 4 days by crystal violet staining based assay
Antiproliferative activity against human HT-29 cells assessed as reduction in cell viability measured after 4 days by crystal violet staining based assay
[PMID: 32502336]
HT-29 IC50
36 nM
Compound: BAY-1895344
Inhibition of ATR in human HT-29 cells assessed as reduction in histone H2AX phosphorylation measured after 30 mins by immunofluorescence cytometric assay
Inhibition of ATR in human HT-29 cells assessed as reduction in histone H2AX phosphorylation measured after 30 mins by immunofluorescence cytometric assay
[PMID: 32502336]
LoVo IC50
71 nM
Compound: BAY-1895344
Antiproliferative activity against human LoVo cells assessed as reduction in cell viability measured after 4 days by crystal violet staining based assay
Antiproliferative activity against human LoVo cells assessed as reduction in cell viability measured after 4 days by crystal violet staining based assay
[PMID: 32502336]
MCF7 IC50
35 nM
Compound: BAY-1895344
Inhibition of PI3K/AKT/mTOR signaling pathway in human MCF7 cells assessed as reduction in AKT phosphorylation at Ser473 residues measured after 30 mins by HTRF assay
Inhibition of PI3K/AKT/mTOR signaling pathway in human MCF7 cells assessed as reduction in AKT phosphorylation at Ser473 residues measured after 30 mins by HTRF assay
[PMID: 32502336]
SU-DHL-8 IC50
9 nM
Compound: 8
Antiproliferative activity against human SU-DHL-8 cells measured after 72 to 96 hrs by CellTiter-Glo cell viability assay
Antiproliferative activity against human SU-DHL-8 cells measured after 72 to 96 hrs by CellTiter-Glo cell viability assay
[PMID: 33135887]
SU-DHL-8 IC50
9 nM
Compound: BAY-1895344
Antiproliferative activity against human SUDHL8 cells assessed as reduction in cell viability measured after 4 days by celltiter-glo luminescent assay
Antiproliferative activity against human SUDHL8 cells assessed as reduction in cell viability measured after 4 days by celltiter-glo luminescent assay
[PMID: 32502336]
In Vitro

Elimusertib potently inhibits the proliferation of a broad spectrum of human tumor cell lines with a median IC50 of 78 nM[1].
Elimusertib potently suppresses hydroxyurea-induced H2AX phosphorylation (IC50: 36 nM)[1].
Elimusertib shows good selectivity against mTOR (ratio of IC50 values: mTOR/ATR 61)[3].
Elimusertib reveals high selectivity against other related kinases, such as DNA-PK (IC50: 332 nM), ATM (IC50: 1420 nM), and PI3K (IC50: 3270 nM)[3].
Elimusertib has potent antiproliferative activity against various cancer cell lines in vitro, 25 for example in the CRC cell lines HT-29 (IC50: 160 nM) and LoVo (IC50: 71 nM), and in the B-cell lymphoma cell line SU-DHL-8 (IC50: 9 nM)[3].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Elimusertib Related Antibodies
In Vivo

Elimusertib shows potent anti-tumor efficacy in monotherapy in a variety of xenograft models of ovarian and colorectal cancer, and causes complete tumor remission in mantle cell lymphoma models[2].
Elimusertib (50 mg/kg; p.o.; b.i.d.; 3 days on/4 days off; for 11 days) exhibits strong antitumor efficacy in the ATM-mutated SU-DHL-8 (ATM K1964E) human GCB-DLBCL cell line derived xenograft model in mice[3].
Elimusertib (20 mg/kg, and 10 mg/kg from day 14; p.o.; daily; 2 days on/5 days off; for 42 days) in combination with Carboplatin (40 mg/kg; i.p.; daily; 1 day on/6 days off) results in synergistic antitumor activity in the platinum-resistant ATM protein low expressing CR5038 human CRC PDX model in NOD/SCID mice[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 and, dog 1.0 h) due to plasma clearance (3.5, 1.2, and 0.79 L/h/kg respectively) following intravenous administration (mouse, rat and dog 0.3-0.5 mg/kg)[3].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

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).
Clinical Trial
Molecular Weight

375.43

Formula

C20H21N7O
CAS No.
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
Shipping

Room temperature in continental US; may vary elsewhere.
Storage
Powder -20°C 3 years
4°C 2 years
In solvent -80°C 6 months
-20°C 1 month
Solvent & Solubility
In Vitro: 

DMSO : 5.4 mg/mL (14.38 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions
Concentration Solvent Mass 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
View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

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  • Dilution Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass
=
Concentration
×
Volume
×
Molecular Weight *

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

Concentration (start)

C1

×
Volume (start)

V1

=
Concentration (final)

C2

×
Volume (final)

V2

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for in vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

  • Protocol 1

    Add each solvent one by one:  10% DMSO    90% (20% SBE-β-CD in Saline)

    Solubility: 1.09 mg/mL (2.90 mM); Suspended solution; Need ultrasonic

    This protocol yields a suspended solution of 1.09 mg/mL. Suspended solution can be used for oral and intraperitoneal injection.

    Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (10.9 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.

    Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
  • Protocol 2

    Add each solvent one by one:  10% DMSO    40% PEG300    5% Tween-80    45% Saline

    Solubility: 0.89 mg/mL (2.37 mM); Suspended solution; Need ultrasonic

    This protocol yields a suspended solution of 0.89 mg/mL. Suspended solution can be used for oral and intraperitoneal injection.

    Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (8.9 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.

    Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.

For the following dissolution methods, please prepare the working solution directly. It is recommended to prepare fresh solutions and use them promptly within a short period of time.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

  • Protocol 1

    Add each solvent one by one:  0.5% CMC-Na/saline water

    Solubility: 4 mg/mL (10.65 mM); Suspended solution; Need ultrasonic and adjust pH to 3 with HCl

In Vivo Dissolution Calculator
Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

g

Dosing volume
(per animal)

μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
%
DMSO +
% 
+
%
Tween-80 +
%
Saline
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).
Calculation results:
Working solution concentration: mg/mL
Method for preparing stock solution: mg drug dissolved in μL  DMSO (Stock solution concentration: mg/mL).
The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).
Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.
 If the continuous dosing period exceeds half a month, please choose this protocol carefully.
Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.
Purity & Documentation

Purity: 99.99%

SDS (393 KB)

COA (255 KB) HNMR (278 KB) LCMS (96 KB) OR (225 KB)

Handling Instructions (2659 KB)
References

Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Optional Solvent Concentration Solvent Mass 1 mg 5 mg 10 mg 25 mg
DMSO 1 mM 2.6636 mL 13.3181 mL 26.6361 mL 66.5903 mL
5 mM 0.5327 mL 2.6636 mL 5.3272 mL 13.3181 mL
10 mM 0.2664 mL 1.3318 mL 2.6636 mL 6.6590 mL
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Elimusertib Related Classifications

Help & FAQs
  • Do most proteins show cross-species activity?

    Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

Keywords:

Elimusertib1876467-74-1BAY 1895344BAY1895344BAY-1895344ATM/ATRAtaxia telangiectasia mutatedATM and RAD3 relatedDNAdamageresponserepairreplicationstressgenomicinstabilitysolidtumorslymphomasInhibitorinhibitorinhibit

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