Ceralasertib (AZD6738) - Moligand™, 10mM in DMSO , Inhibitor of ATR serine/threonine kinase, CAS No.1352226-88-0, Inhibitor of ATR serine/threonine kinase

CAS: 1352226-88-0 Cat. No.: C408010 Molecular Weight: 412.51 EC Number: 805-672-6

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

4-[4-[1-[[S(R)]-S-methylsulfonimidoyl]cyclopropyl]-6-[(3R)-3-methyl-4-morpholinyl]-2-pyrimidinyl]-1H-pyrrolo[2,3-b]pyridine

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Information

Ceralasertib (AZD6738) is an orally active, and selectiveATRkinase inhibitor withIC50of 1 nM. Phase 1/2.
In vitro

In four Kras mutant cell lines: H23, H460, A549, and H358, AZD6738 inhibits ATR kinase activity and impairs cell viability. In ATM-deficient H23 cells, AZD6738 strongly synergizes with cisplatin to induce rapid cell death. In p53 or ATM defective cells, AZD6738 treatment results in replication fork stalls and accumulation of unrepaired DNA damage, resulting in cell death by mitotic catastrophe.

In vivo

In nude mice bearing H460 and H23 tumors, AZD6738 (50 mg/kg, p.o.) results in tumor growth inhibition (TGI), and the the combination with cisplatin causes rapid regression of ATM-deficient H23 tumors. In nude mice bearing LoVo xenografts, a combination of AZD6738 (50\u2009mg/kg)\u2009+\u2009IR (2\u2009Gy) avoids toxicity while still maintaining efficacy.
Cell Data

cell lines：MDA-MB-231 cell line

Concentrations：~30 μM

Incubation Time：48 h

Powder Purity:≥99%

Specifications

Synonyms

4-[4-[1-[[S(R)]-S-methylsulfonimidoyl]cyclopropyl]-6-[(3R)-3-methyl-4-morpholinyl]-2-pyrimidinyl]-1H-pyrrolo[2, 3-b]pyridine

Specifications & Purity

Moligand™, 10mM in DMSO

Biochemical and Physiological Mechanisms

Ceralasertib (AZD6738) is an orally active, and selective ATR kinase inhibitor with IC50 of 1 nM. Phase 1/2.

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

Inhibitor of ATR serine/threonine kinase

Product Properties

• ALogP: 2.427
• hba_count: 5
• HBD Count: 1
• Rotatable Bond: 4

Names and Identifiers

• Isomeric SMILES: C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4
• Alternate CAS: 1352226-88-0
• MeSH Entry Terms: 4-(4-(1-((S(R))-S-methylsulfonimidoyl)cyclopropyl)-6-((3R)-3-methyl-4-morpholinyl)-2-pyrimidinyl)-1H-pyrrolo(2,3-b)pyridine;AZD-6738;AZD6738;ceralasertib
• Molecular Weight: 412.51
• Reaxy-Rn: 31199993
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31199993&ln=

Associated Targets(Human)

ATR Tchem Serine/threonine-protein kinase ATR (2 Activities)

Discover Target: ATR

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: 55 mg/mL (198.26 mM); Water: Insoluble; Ethanol: Insoluble
• DMSO(mg / mL) Max Solubility: 82
• DMSO(mM) Max Solubility: 198.7830598
• Water(mg / mL) Max Solubility: ＜1