Elimusertib (BAY-1895344) - Moligand™, ≥98% , Serine-protein kinase ATR inhibitor, CAS No.1876467-74-1, Serine-protein kinase ATR inhibitor

CAS: 1876467-74-1 Cat. No.: E414498 Molecular Weight: 375.43
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
Synonyms
GTPL10354 | HY-101566 | BAY-1895344 HCl | 1,7-NAPHTHYRIDINE, 2-((3R)-3-METHYL-4-MORPHOLINYL)-4-(1-METHYL-1H-PYRAZOL-5-YL)-8-(1H-PYRAZOL-3-YL)- | NSC800525 | NSC-800525 | SCHEMBL21756640 | (3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-n
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Size
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5mg
E414498-5mg
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E414498-10mg
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E414498-50mg
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100mg
E414498-100mg
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Why this grade

Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Information

Elimusertib (BAY-1895344) is a very potent and highly selectiveATR (ataxia telangiectasia and Rad3-related)inhibitor with IC50 of 7 nM. Elimusertib potently inhibits proliferation of a broad spectrum of human tumor cell lines with median IC50 of 78 nM.


Targets

ATR (Cell-free assay) 7 nM


In vitro

BAY-1895344 inhibits tumor cell growth and viability and exhibits potent antiproliferative activity in a broad spectrum of human tumor cell lines.


In vivo

BAY 1895344 exhibits strong monotherapy efficacy in cancer xenograft models that carry DNA damage repair deficiencies.


Cell Research(from reference)

Cell lines:HT-29 cells, M059J cells, 38 cancer cell lines 

Concentrations:3–300 nM 

Incubation Time:72 to 96 hours 

Specifications

Synonyms
GTPL10354 | HY-101566 | BAY-1895344 HCl | 1, 7-NAPHTHYRIDINE, 2-((3R)-3-METHYL-4-MORPHOLINYL)-4-(1-METHYL-1H-PYRAZOL-5-YL)-8-(1H-PYRAZOL-3-YL)- | NSC800525 | NSC-800525 | SCHEMBL21756640 | (3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1, 7-n
Specifications & Purity
Moligand™, ≥98%
Biochemical and Physiological Mechanisms
Elimusertib (BAY-1895344) is a very potent and highly selective ATR (ataxia telangiectasia and Rad3-related) inhibitor with IC50 of 7 nM. Elimusertib potently inhibits proliferation of a broad spectrum of human tumor cell lines with median IC50 of 78 nM.
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Serine-protein kinase ATR inhibitor
Purity
≥98%
Product Properties
ALogP2.774
hba_count5
HBD Count1
Rotatable Bond3
Names and Identifiers
Pubchem Sid504772892
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504772892
Canonical SmilesCC1COCCN1C2=NC3=C(C=CN=C3C4=CC=NN4)C(=C2)C5=CC=NN5C
IUPAC Name(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
InChIKeyYBXRSCXGRPSTMW-CYBMUJFWSA-N
INCHI1S/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
Isomeric SMILES C[C@@H]1COCCN1C2=NC3=C(C=CN=C3C4=CC=NN4)C(=C2)C5=CC=NN5C
Molecular Weight 375.43
Reaxy-Rn 42843031
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=42843031&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassDiazanaphthalenes
SubclassNaphthyridines
Intermediate Tree Nodes Not available
Direct ParentNaphthyridines
Alternative Parents Dialkylarylamines  Aminopyridines and derivatives  Morpholines  Imidolactams  Pyrazoles  Heteroaromatic compounds  Oxacyclic compounds  Dialkyl ethers  Azacyclic compounds  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Naphthyridine - Dialkylarylamine - Aminopyridine - Imidolactam - Pyridine - Oxazinane - Morpholine - Heteroaromatic compound - Pyrazole - Azole - Oxacycle - Azacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as naphthyridines. These are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ATR Tchem Serine/threonine-protein kinase ATR (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
MTOR Tclin Serine/threonine-protein kinase mTOR (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PRKDC Tchem DNA-dependent protein kinase (1929 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C8 Tchem Cytochrome P450 2C8 (1492 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MTOR Tclin Serine/threonine-protein kinase mTOR (13850 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIK3CB Tchem PI3-kinase p110-beta subunit (4044 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GAK Tchem Serine/threonine-protein kinase GAK (1150 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATM Tchem Serine-protein kinase ATM (4198 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATR Tchem Serine-protein kinase ATR (986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HT-29 (80576 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LoVo (4724 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U-87 MG (3946 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RIOK2 Tbio Serine/threonine-protein kinase RIO2 (621 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATR Tchem ATR/ATRIP (56 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SUM149PT (97 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot NumberCertificate TypeDateItem
K2211228Certificate of AnalysisAug 12, 2025 E414498
K2211229Certificate of AnalysisAug 12, 2025 E414498
K2211230Certificate of AnalysisAug 12, 2025 E414498
K2211233Certificate of AnalysisAug 12, 2025 E414498
K2211235Certificate of AnalysisAug 12, 2025 E414498
Chemical and Physical Properties
SolubilitySolubility (25°C) In vitro DMSO: 17 mg/mL (45.28 mM); Ethanol: 3 mg/mL (7.99 mM); Water: Insoluble;
DMSO(mg / mL) Max Solubility17
DMSO(mM) Max Solubility45.2814106491223
Water(mg / mL) Max Solubility<1
Molecular Weight375.400 g/mol
XLogP31.600
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass375.181 Da
Monoisotopic Mass375.181 Da
Topological Polar Surface Area84.800 Ų
Heavy Atom Count28
Formal Charge0
Complexity537.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

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