Elimusertib free base
new
featured

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 333061

CAS#: 1876467-74-1 (free base)

Description: Elimusertib, also known as BAY-1895344, is a potent and selective ATM inhibitor. BAY 1895344 shows potent anti-tumor efficacy in monotherapy and strong combination potential with the targeted alpha therapy Radium-223 dichloride.


Chemical Structure

img
Elimusertib free base
CAS# 1876467-74-1 (free base)

Theoretical Analysis

MedKoo Cat#: 333061
Name: Elimusertib free base
CAS#: 1876467-74-1 (free base)
Chemical Formula: C20H21N7O
Exact Mass: 375.1808
Molecular Weight: 375.436
Elemental Analysis: C, 63.98; H, 5.64; N, 26.12; O, 4.26

Price and Availability

Size Price Availability Quantity
25.0mg USD 350.0 2 Weeks
50.0mg USD 550.0 2 Weeks
100.0mg USD 950.0 2 Weeks
200.0mg USD 1650.0 2 Weeks
500.0mg USD 2650.0 2 Weeks
1.0g USD 3450.0 2 Weeks
2.0g USD 5850.0 2 Weeks
Bulk inquiry

Related CAS #: 1876467-74-1 (free base)   BAY-1895344 HCl    

Synonym: Elimusertib, free base; BAY-1895344; BAY 1895344; BAY1895344;

IUPAC/Chemical Name: (R)-3-methyl-4-(4-(1-methyl-1H-pyrazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl)morpholine

InChi Key: YBXRSCXGRPSTMW-CYBMUJFWSA-N

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

SMILES Code: CN1N=CC=C1C2=CC(N3[C@H](C)COCC3)=NC4=C(C5=CC=NN5)N=CC=C24

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: To be determined

Shelf Life: >2 years if stored properly

Drug Formulation: To be determined

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Product Data:

Biological target: Elimusertib (BAY-1895344) is a potent, orally active and selective ATR inhibitor with an IC50 of 7 nM.
In vitro activity: BAY 1895344 also demonstrated very potent antiproliferative activity against various cancer cell lines in vitro, 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). Reference: J Med Chem. 2020 Jul 9;63(13):7293-7325. https://pubmed.ncbi.nlm.nih.gov/32502336/
In vivo activity: In the GRANTA-519 model, treatment with BAY 1895344 applied at MTD demonstrated strong antitumor efficacy, whereas the ATR inhibitors AZD6738 and M6620 applied at MTD achieved only moderate antitumor efficacy (Fig. 1C). Reference: Mol Cancer Ther. 2020 Jan;19(1):26-38. https://pubmed.ncbi.nlm.nih.gov/31582533/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 15.8 42.08
DMSO:PBS (pH 7.2) (1:3) 0.25 0.67
DMF 25.0 66.59
Ethanol 2.0 5.33

Preparing Stock Solutions

The following data is based on the product molecular weight 375.436 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol: 1. Lücking U, Wortmann L, Wengner AM, Lefranc J, Lienau P, Briem H, Siemeister G, Bömer U, Denner K, Schäfer M, Koppitz M, Eis K, Bartels F, Bader B, Bone W, Moosmayer D, Holton SJ, Eberspächer U, Grudzinska-Goebel J, Schatz C, Deeg G, Mumberg D, von Nussbaum F. 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. doi: 10.1021/acs.jmedchem.0c00369. Epub 2020 Jun 28. PMID: 32502336. 2. Wengner AM, Siemeister G, Lücking U, Lefranc J, Wortmann L, Lienau P, Bader B, Bömer U, Moosmayer D, Eberspächer U, Golfier S, Schatz CA, Baumgart SJ, Haendler B, Lejeune P, Schlicker A, von Nussbaum F, Brands M, Ziegelbauer K, Mumberg D. The Novel ATR Inhibitor BAY 1895344 Is Efficacious as Monotherapy and Combined with DNA Damage-Inducing or Repair-Compromising Therapies in Preclinical Cancer Models. Mol Cancer Ther. 2020 Jan;19(1):26-38. doi: 10.1158/1535-7163.MCT-19-0019. Epub 2019 Oct 3. PMID: 31582533.
In vitro protocol: 1. Lücking U, Wortmann L, Wengner AM, Lefranc J, Lienau P, Briem H, Siemeister G, Bömer U, Denner K, Schäfer M, Koppitz M, Eis K, Bartels F, Bader B, Bone W, Moosmayer D, Holton SJ, Eberspächer U, Grudzinska-Goebel J, Schatz C, Deeg G, Mumberg D, von Nussbaum F. 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. doi: 10.1021/acs.jmedchem.0c00369. Epub 2020 Jun 28. PMID: 32502336. 2. Wengner AM, Siemeister G, Lücking U, Lefranc J, Wortmann L, Lienau P, Bader B, Bömer U, Moosmayer D, Eberspächer U, Golfier S, Schatz CA, Baumgart SJ, Haendler B, Lejeune P, Schlicker A, von Nussbaum F, Brands M, Ziegelbauer K, Mumberg D. The Novel ATR Inhibitor BAY 1895344 Is Efficacious as Monotherapy and Combined with DNA Damage-Inducing or Repair-Compromising Therapies in Preclinical Cancer Models. Mol Cancer Ther. 2020 Jan;19(1):26-38. doi: 10.1158/1535-7163.MCT-19-0019. Epub 2019 Oct 3. PMID: 31582533.
In vivo protocol: 1. Lücking U, Wortmann L, Wengner AM, Lefranc J, Lienau P, Briem H, Siemeister G, Bömer U, Denner K, Schäfer M, Koppitz M, Eis K, Bartels F, Bader B, Bone W, Moosmayer D, Holton SJ, Eberspächer U, Grudzinska-Goebel J, Schatz C, Deeg G, Mumberg D, von Nussbaum F. 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. doi: 10.1021/acs.jmedchem.0c00369. Epub 2020 Jun 28. PMID: 32502336. 2. Wengner AM, Siemeister G, Lücking U, Lefranc J, Wortmann L, Lienau P, Bader B, Bömer U, Moosmayer D, Eberspächer U, Golfier S, Schatz CA, Baumgart SJ, Haendler B, Lejeune P, Schlicker A, von Nussbaum F, Brands M, Ziegelbauer K, Mumberg D. The Novel ATR Inhibitor BAY 1895344 Is Efficacious as Monotherapy and Combined with DNA Damage-Inducing or Repair-Compromising Therapies in Preclinical Cancer Models. Mol Cancer Ther. 2020 Jan;19(1):26-38. doi: 10.1158/1535-7163.MCT-19-0019. Epub 2019 Oct 3. PMID: 31582533.

Molarity Calculator

Calculate the mass, volume, or concentration required for a solution.
=
x
x
g/mol

*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

Reconstitution Calculator

The reconstitution calculator allows you to quickly calculate the volume of a reagent to reconstitute your vial. Simply enter the mass of reagent and the target concentration and the calculator will determine the rest.

=
÷

Dilution Calculator

Calculate the dilution required to prepare a stock solution.
x
=
x

This message contains search results from the National Center for Biotechnology Information (NCBI) at the U.S. National Library of Medicine (NLM). Do not reply directly to this message

Sent On: Thu Jun 17 14:23:34 2021

Search: BAY1895344

5 selected items

PubMed Results
Items 1-5 of 5 (Display the 5 citations in PubMed)

1: Jo U, Senatorov IS, Zimmermann A, Saha LK, Murai Y, Kim SH, Rajapakse VN, Elloumi F, Takahashi N, Schultz CW, Thomas A, Zenke FT, Pommier Y. Novel and highly potent ATR inhibitor M4344 kills cancer cells with replication stress and enhances the chemotherapeutic activity of widely used DNA damaging agents. Mol Cancer Ther. 2021 May 27:molcanther.1026.2020. doi: 10.1158/1535-7163.MCT-20-1026. Epub ahead of print. PMID: 34045232.

2: Goncalves T, Zoumpoulidou G, Alvarez-Mendoza C, Mancusi C, Collopy LC, Strauss SJ, Mittnacht S, Tomita K. Selective Elimination of Osteosarcoma Cell Lines with Short Telomeres by Ataxia Telangiectasia and Rad3-Related Inhibitors. ACS Pharmacol Transl Sci. 2020 Oct 7;3(6):1253-1264. doi: 10.1021/acsptsci.0c00125. PMID: 33344901; PMCID: PMC7737214.

3: Gorecki L, Andrs M, Rezacova M, Korabecny J. Discovery of ATR kinase inhibitor berzosertib (VX-970, M6620): Clinical candidate for cancer therapy. Pharmacol Ther. 2020 Jun;210:107518. doi: 10.1016/j.pharmthera.2020.107518. Epub 2020 Feb 26. PMID: 32109490.

4: Bradbury A, Hall S, Curtin N, Drew Y. Targeting ATR as Cancer Therapy: A new era for synthetic lethality and synergistic combinations? Pharmacol Ther. 2020 Mar;207:107450. doi: 10.1016/j.pharmthera.2019.107450. Epub 2019 Dec 11. PMID: 31836456.

5: Mei L, Zhang J, He K, Zhang J. Ataxia telangiectasia and Rad3-related inhibitors and cancer therapy: where we stand. J Hematol Oncol. 2019 Apr 24;12(1):43. doi: 10.1186/s13045-019-0733-6. PMID: 31018854; PMCID: PMC6482552.