AZD2423 - ≥98% , CAS No.1229603-37-5

CAS: 1229603-37-5 Cat. No.: A651097 Molecular Weight: 425.93 PubChem CID: 46213922

GRADE & PURITY ≥98%

Synonyms

1W47471992 | AKOS040741194 | UNII-1W47471992 | 4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-chloro-3-fluorophenyl)piperazine-1-carboxamide | SCHEMBL2492309 | 1229603-37-5 | SRWQVWAIVQXPJY-QGZVFWFLSA-N | AZD2423 | AZD-2423 | HY-135891 | AZD 2423 [WHO-DD

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

AZD2423 is a potent, selective, orally bioavailable, and non-competitive CCR2 chemokine receptor negative allosteric modulator. AZD2423 has an IC 50 of 1.2 nM for CCR2 Ca 2+ flux

In Vitro

AZD2423 inhibits MCP-1 induced calcium mobilization and chemotaxis of THP-1 cell line with an IC 50 of 4 nM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:CCR2

Specifications

Synonyms

1W47471992 | AKOS040741194 | UNII-1W47471992 | 4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-chloro-3-fluorophenyl)piperazine-1-carboxamide | SCHEMBL2492309 | 1229603-37-5 | SRWQVWAIVQXPJY-QGZVFWFLSA-N | AZD2423 | AZD-2423 | HY-135891 | AZD 2423 [WHO-DD

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

AZD2423 is a potent, selective, orally bioavailable, and non-competitive CCR2 chemokine receptor negative allosteric modulator. AZD2423 has an IC 50 of 1.2 nM for CCR2 Ca 2+ flux.

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

ANTAGONIST

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(C)(C)N1CCNC(C1)C(=O)N2CCN(CC2)C(=O)NC3=CC(=C(C=C3)Cl)F
• IUPAC Name: 4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-chloro-3-fluorophenyl)piperazine-1-carboxamide
• InChIKey: SRWQVWAIVQXPJY-QGZVFWFLSA-N
• INCHI: 1S/C20H29ClFN5O2/c1-20(2,3)27-7-6-23-17(13-27)18(28)25-8-10-26(11-9-25)19(29)24-14-4-5-15(21)16(22)12-14/h4-5,12,17,23H,6-11,13H2,1-3H3,(H,24,29)/t17-/m1/s1
• Isomeric SMILES: CC(C)(C)N1CCN[C@H](C1)C(=O)N2CCN(CC2)C(=O)NC3=CC(=C(C=C3)Cl)F
• Alternate CAS: 1449698-98-9,1229603-37-5
• PubChem CID: 46213922
• Molecular Weight: 425.93

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass N-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylureas
• Alternative Parents: Alpha amino acids and derivatives Piperazine carboxamides N-alkylpiperazines Fluorobenzenes Chlorobenzenes Aryl chlorides Aryl fluorides Tertiary carboxylic acid amides Ureas Trialkylamines Azacyclic compounds Dialkylamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - N-phenylurea - Piperazine-2-carboxamide - Piperazine-1-carboxamide - Halobenzene - N-alkylpiperazine - Fluorobenzene - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - 1,4-diazinane - Piperazine - Tertiary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Urea - Carboxamide group - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Secondary amine - Secondary aliphatic amine - Organic oxide - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
• 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

Associated Targets(Human)

CCR2 Tchem C-C chemokine receptor type 2 (0 Activities)

Discover Target: CCR2

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

Chemical and Physical Properties

• Solubility: DMSO : 100 mg/mL (234.78 mM; Need ultrasonic)
• Molecular Weight: 425.900 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 425.199 Da
• Monoisotopic Mass: 425.199 Da
• Topological Polar Surface Area: 67.900 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 594.000
• 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: 1