Elimusertib (BAY-1895344) hydrochloride - Moligand™, 10mM in DMSO , Serine-protein kinase ATR inhibitor, CAS No.1876467-74-1, Serine-protein kinase ATR inhibitor

CAS: 1876467-74-1 Cat. No.: E409275 Molecular Weight: 375.43

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

BAY-1895344 HCl | 2-​[(3R)​-​3-​methyl-​4-​morpholinyl]​-​4-​(1-​methyl-​1H-​pyrazol-​5-​yl)​-​8-​(1H-​pyrazol-​3-​yl)​-1,​7-​Naphthyridine hydrochloride

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Information

Elimusertib (BAY-1895344) hydrochloride is a potent, highly selective and orally availableATRinhibitor with an IC50 of 7 nM.
In vitro

In vitro, BAY 1895344 is shown to be a very potent and highly selective ATR inhibitor (IC50 = 7 nM), which potently inhibits proliferation of a broad spectrum of human tumor cell lines (median IC50 = 78 nM). In cellular mechanistic assays BAY 1895344 potently inhibits hydroxyurea-induced H2AX phosphorylation (IC50 = 36 nM).

In vivo

BAY 1895344 reveals significantly improved aqueous solubility, bioavailability across species and no activity in the hERG patch-clamp assay. It also demonstrates very promising efficacy in monotherapy in DNA damage deficient tumor models as well as combination treatment with DNA damage inducing therapies. BAY 1895344 exhibits strong in vivo anti-tumor efficacy in monotherapy in a variety of xenograft models of different indications that are characterized by DDR deficiencies, inducing stable disease in ovarian and colorectal cancer or even complete tumor remission in mantle cell lymphoma models.
Cell Data

cell lines：

Concentrations：

Incubation Time：

Powder Purity:≥98%

Specifications

Synonyms

BAY-1895344 HCl | 2-​[(3R)​-​3-​methyl-​4-​morpholinyl]​-​4-​(1-​methyl-​1H-​pyrazol-​5-​yl)​-​8-​(1H-​pyrazol-​3-​yl)​-1, ​7-​Naphthyridine hydrochloride

Specifications & Purity

Moligand™, 10mM in DMSO

Biochemical and Physiological Mechanisms

Elimusertib (BAY-1895344) hydrochloride is a potent, highly selective and orally available ATR inhibitor with an IC50 of 7 nM.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Product Properties

• ALogP: 2.774
• hba_count: 5
• HBD Count: 1
• Rotatable Bond: 3

Names and Identifiers

• 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=

Associated Targets(Human)

ATR Tchem Serine/threonine-protein kinase ATR (1 Activities)

Discover Target: ATR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MTOR Tclin Serine/threonine-protein kinase mTOR (1 Activities)

Discover Target: MTOR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 56 mg/mL (201.22 mM); Water: 56 mg/mL (201.22 mM); Ethanol: Insoluble
• DMSO(mg / mL) Max Solubility: 17
• DMSO(mM) Max Solubility: 45.2814106491223
• Water(mg / mL) Max Solubility: ＜1