AZD 7762 hydrochloride - ≥98%(HPLC) , CAS No.1246094-78-9

CAS: 1246094-78-9 Cat. No.: A287147 Molecular Weight: 398.88 EC Number: 806-399-5

GRADE & PURITY ≥98%(HPLC)

Synonyms

MLS006010750 | HY-10992A | SCHEMBL19457662 | 5-(3-Fluoro-phenyl)-3-ureido-thiophene-2-carboxylic acid (S)-piperidin-3-ylamide hydrochloride | AZD-7762 hydrochloride, >=98% (HPLC) | AZD 7762 hydrochloride | SMR004701703 | BCP25387 | 3-(carbamoylamino)-5-(3

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

application：

AZD-7762 hydrochloride has been used:

as a checkpoint kinase 1 and 2 (CHK1/2) inhibitor to study its effect on the efficiency of non-homologous end-joining (NHEJ) repair in breast cancer cell lines

as a CHK1 inhibitor to serve as a positive control for replication stress in the assessment of fork restart events

as a CHK1/2 inhibitor to study its effects on DNA lesions during mice zygote development

Specifications

Synonyms

MLS006010750 | HY-10992A | SCHEMBL19457662 | 5-(3-Fluoro-phenyl)-3-ureido-thiophene-2-carboxylic acid (S)-piperidin-3-ylamide hydrochloride | AZD-7762 hydrochloride, >=98% (HPLC) | AZD 7762 hydrochloride | SMR004701703 | BCP25387 | 3-(carbamoylamino)-5-(3

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Potent and selective ATP-competitive inhibitor of Chk1 and Chk2 (IC50vales are 5 nM for both kinases); displays at least >10 fold selectivity over a panel of 164 kinases. Potentiates cytotoxicity of DNA-damaging agents. Activein vivo. Also improves effici

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.

Action Type

INHIBITOR

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: C1CC(CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N.Cl
• IUPAC Name: 3-(carbamoylamino)-5-(3-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide;hydrochloride
• InChIKey: WFZBLOIXZRZEDG-YDALLXLXSA-N
• INCHI: 1S/C17H19FN4O2S.ClH/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12;/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24);1H/t12-;/m0./s1
• Isomeric SMILES: C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N.Cl
• WGK Germany: 3
• Molecular Weight: 398.88
• Reaxy-Rn: 37706047
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37706047&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Thiophenes
      • Subclass Thiophene carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Thiophenes
• Subclass: Thiophene carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiophene carboxamides
• Alternative Parents: 2,3,5-trisubstituted thiophenes 2-heteroaryl carboxamides Fluorobenzenes Piperidines Aryl fluorides Vinylogous amides Heteroaromatic compounds Ureas Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Dialkylamines Organofluorides Hydrocarbon derivatives Hydrochlorides Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-heteroaryl carboxamide - 2,3,5-trisubstituted thiophene - Thiophene carboxamide - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Urea - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Secondary amine - Organic oxygen compound - Hydrochloride - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thiophene carboxamides. These are compounds containing a thiophene ring which bears a carboxamide.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Solvent:water, Max Conc. mg/mL: 39.89, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 39.89, Max Conc. mM: 100
• Sensitivity: Moisture sensitive
• Molecular Weight: 398.900 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 398.098 Da
• Monoisotopic Mass: 398.098 Da
• Topological Polar Surface Area: 124.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 495.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3