Elimusertib (BAY-1895344) HCl

Alias: Elimusertib HCl; BAY 1895344; BAY-1895344 HCl; BAY-1895344 hydrochloride; BAY1895344; BAY-1895344; Elimusertib hydrochloride

Cat No.:V3122 Purity: ≥98%

COA Product Data Instructions for use SDS

Elimusertib (BAY1895344) HCl, the hydrochloride salt of BAY 1895344, is a selective and orally bioavailable ATR (ataxia telangiectasia and Rad3-related) inhibitor with potential antitumor activity.

Elimusertib (BAY-1895344) HCl Chemical Structure Product category: ATM(ATR)

This product is for research use only, not for human use. We do not sell to patients.

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Other Forms of Elimusertib (BAY-1895344) HCl:

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Top Publications Citing lnvivochem Products

Nature 2021, 597(7874):119-125.

Cell 2020,183:1202-1218.e25.

Science Adv 2022: 8, eabm9427.

Nature 597, 119–125 (2021)

Cell Stem Cell 2020,26(6):845-861.e12.

Science Trans Med 2023,15(701):eadd7872.

STTT 2023,8(1):91.

Cell Reports 2023,42(4):112313

Science Trans Med 2023, 15: eadd7872.

Cancer Cell 2021,39(4):529-547.e7.

Cancer Discov 2022,12(4):1106-1127.

Immunity 2023,56(3):620-634.e11.

J Am Chem Soc 2022,144:21831-21836.

Cell 2020,183:1202-1218.e25.

Science Adv 2022:8,eabm9427.

Nature 2021,597(7874):119-125.

Cell 2020,183:1202-1218.e25.

PNAS Nexus 2022,1(3):pgac063.

ACS Nano 2023,17(10):9110-9125.

Biomaterial 2023 Sep16:302:122333.

Purity & Quality Control Documentation

Current batch：

Purity: ≥98%

COA

MSDS

Instructions

Product Description
Bioactivity & Protocols
Physicochemical Properties
Solubility Data
Calculators
Clinical Trial Information

Product Description

Elimusertib (BAY1895344) HCl, the hydrochloride salt of BAY 1895344, is a selective and orally bioavailable ATR (ataxia telangiectasia and Rad3-related) inhibitor with potential antitumor activity. It suppresses ATR with an IC50 of 7 nM.

Biological Activity I Assay Protocols (From Reference)

Targets

ATR ( IC50 = 7 nM )

ln Vitro

In vitro activity: Elimusertib hydrochloride, with a median IC50 of 78 nM, potently inhibits the proliferation of a wide range of human tumor cell lines[1].
Elimusertib hydrochloride (IC50: 36 nM) effectively inhibits the phosphorylation of H2AX induced by hydroxyurea[1].
Elimusertib hydrochloride demonstrates strong mTOR selectivity (mTOR/ATR 61 is the ratio of IC50 values)[3].
Elemusertib hydrochloride exhibits a high degree of selectivity towards other kinases that are related to it, including PI3K (IC50: 3270 nM), ATM (IC50: 1420 nM), and DNA-PK (IC50: 332 nM).[3].
Elimusertib hydrochloride exhibits strong antiproliferative activity in vitro against a range of cancer cell lines, including the B-cell lymphoma cell line SU-DHL-8 (IC50: 9 nM) and the CRC cell lines HT-29 (IC50: 160 nM) and LoVo (IC50: 71 nM)[3].

ln Vivo

Elimusertib hydrochloride induces total tumor remission in mantle cell lymphoma models and demonstrates strong anti-tumor efficacy in a range of xenograft models of colorectal and ovarian cancer when used as a monotherapy[2].
Elimusertib hydrochloride (50 mg/kg; p.o.; b.i.d.; 3 days on/4 days off; for 11 days) shows a strong antitumor efficacy in the mouse xenograft model derived from the ATM-mutated SU-DHL-8 (ATM K1964E) human GCB-DLBCL cell line[3].
Elimusertib hydrochloride (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 hydrochloride exhibits moderate oral bioavailability (rat 87%, dog 51%) following oral administration (rat and dog 0.6-1 mg/kg)[3].
Elimusertib hydrochloride (20 mg/kg, and 10 mg/kg from day 14; p.o.; daily; 2 days on/5 days off) combined with Carboplatin (40 mg/kg; i.p.; daily; 1 day on/6 days off) exhibits synergistic antitumor activity in the platinum-resistant ATM protein low expressing CR5038 human CRC PDX model in NOD/SCID mice[3].

Enzyme Assay

Elimusertib (BAY1895344) has an IC50 of 7 nM, which inhibits ATR.

Cell Assay

BAY 1895344 inhibits the phosphorylation of H2AX induced by hydroxyurea in cellular mechanistic assays. BAY 1895344 significantly suppresses hydroxyurea-induced H2AX phosphorylation in cellular mechanistic assays (IC50=36 nM).

Animal Protocol

Female C.B-17 SCID mice, SU-DHL-8 GCB-DLBCL xenograft model
50 mg/kg
Oral administration, b.i.d., 3 days on/4 days off, for 11 days

References

[1]. 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 Res (2017) 77 (13_Supplement): 983.

[2]. 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 Res (2017) 77 (13_Supplement): 836.

[3]. Damage Incorporated: Discovery of the Potent, Highly Selective, Orally Available ATR Inhibitor BAY 1895344 with Favorable Pharmacokinetic Properties and Promising Efficacy in Monotherapy and in Combination Treatments in Preclinical Tumor Models. J Med Chem . 2020 Jul 9;63(13):7293-7325.

These protocols are for reference only. InvivoChem does not independently validate these methods.

Physicochemical Properties

Molecular Formula

C20H22CLN7O

Exact Mass

411.16

Elemental Analysis

C, 58.32; H, 5.38; Cl, 8.61; N, 23.80; O, 3.88

Related CAS #

1876467-74-1

Appearance

Yellow solid powder

Synonyms

Elimusertib HCl; BAY 1895344; BAY-1895344 HCl; BAY-1895344 hydrochloride; BAY1895344; BAY-1895344; Elimusertib hydrochloride

HS Tariff Code

2934.99.9001

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)

Solubility Data

Solubility (In Vitro)

DMSO: >80 mg/mL

Water: >80 mg/mL

Ethanol: >80 mg/mL

Solubility (In Vivo)

N/A

(Please use freshly prepared in vivo formulations for optimal results.)

Calculator

Mass

Concentration

Volume

Molecular Weight*

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Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

Calculate the Mass of a compound required to prepare a solution of known volume and concentration
Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume

See Example

An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?

Enter 350.26 in the Molecular Weight (MW) box
Enter 10 in the Concentration box and choose the correct unit (mM)
Enter 5 in the Volume box and choose the correct unit (mL)
Click the “Calculate” button
The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Concentration (Start)

Volume (Start)

Concentration (End)

Volume (End)

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Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:

Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
Enter 25 into the Concentration (End) box and select the correct unit (mM)
Enter 25 into the Volume (End) box and choose the correct unit (mL)
Click the “Calculate” button
The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box

Molecular formula

Total molecular weight

g/mol

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Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4 c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:

To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.

Definitions of molecular mass, molecular weight, molar mass and molar weight:

Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.

Volume (to add to vial)

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Desired Reconstitution Concentration

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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
Click the “Calculate” button
The answer appears in the Volume (to add to vial) box

In vivo Formulation Calculator (Clear solution)

Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)

Dosage mg/kg

Average weight of animals g

Dosing volume per animal μL

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Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)

% DMSO

% Tween 80

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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.

Note： (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.

Clinical Trial Information

NCT Number	Recruitment	interventions	Conditions	Sponsor/Collaborators	Start Date	Phases
NCT05071209	Active Recruiting	Drug: Elimusertib	Recurrent Lymphoma Refractory Lymphoma	National Cancer Institute (NCI)	December 22, 2021	Phase 1 Phase 2
NCT04267939	Active Recruiting	Drug: Elimusertib (BAY1895344) Drug: Niraparib	Advanced Ovarian Carcinoma Advanced Fallopian Tube Carcinoma	Bayer	February 26, 2020	Phase 1
NCT04491942	Recruiting	Drug: Elimusertib Drug: Cisplatin	Advanced Gastric Carcinoma Advanced Penile Carcinoma	National Cancer Institute (NCI)	August 25, 2021	Phase 1
NCT03188965	Completed	Drug: Elimusertib (BAY1895344)	Advanced Solid Tumor Mantle Cell Lymphoma	Bayer	July 6, 2017	Phase 1