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

Item Number
E414498
Grouped product items
SKUSizeAvailabilityPrice Qty
E414498-5mg
5mg
In stock
$88.90
E414498-10mg
10mg
In stock
$137.90
E414498-25mg
25mg
In stock
$276.90
E414498-50mg
50mg
In stock
$454.90
E414498-100mg
100mg
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
$721.90

ATR Selective Inhibitors

Basic Description

SynonymsGTPL10354 | HY-101566 | BAY-1895344 HCl | CS-0021722 | 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-pyrazo
Specifications & PurityMoligand™, ≥98%
Biochemical and Physiological MechanismsElimusertib (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 TempStore at -20°C
Shipped InIce chest + Ice pads
GradeMoligand™
Action TypeINHIBITOR
Mechanism of actionSerine-protein kinase ATR inhibitor
Product Description

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 

Product Properties

ALogP2.774
HBD Count1
Rotatable Bond3

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

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Names and Identifiers

IUPAC Name (3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
INCHI 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
InChi Key YBXRSCXGRPSTMW-CYBMUJFWSA-N
Canonical SMILES CC1COCCN1C2=NC3=C(C=CN=C3C4=CC=NN4)C(=C2)C5=CC=NN5C
Isomeric SMILES C[C@@H]1COCCN1C2=NC3=C(C=CN=C3C4=CC=NN4)C(=C2)C5=CC=NN5C
PubChem CID 118869362
Molecular Weight 375.43

Certificates

Certificate of Analysis(COA)

Enter Lot Number to search for COA:

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 03, 2022 E414498
K2211229Certificate of AnalysisAug 03, 2022 E414498
K2211230Certificate of AnalysisAug 03, 2022 E414498
K2211233Certificate of AnalysisAug 03, 2022 E414498
K2211235Certificate of AnalysisAug 03, 2022 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

Related Documents

References

1. Minchom A, Aversa C, Lopez J.  (2018)  Dancing with the DNA damage response: next-generation anti-cancer therapeutic strategies..  Ther Adv Med Oncol,  10  (13): (1758835918786658).  [PMID:30023007] [10.1021/op500134e]
2. Mei L, Zhang J, He K, Zhang J.  (2019)  Ataxia telangiectasia and Rad3-related inhibitors and cancer therapy: where we stand..  J Hematol Oncol,  12  (1): (43).  [PMID:31018854] [10.1021/op500134e]

Solution Calculators