Imaradenant (AZD4635) - Moligand™, ≥98% , Adenosine A2a receptor antagonist, CAS No.1321514-06-0, Adenosine A2a receptor antagonist

CAS: 1321514-06-0 Cat. No.: I414133 Molecular Weight: 315.73

GRADE & PURITY Moligand™, ≥98%

Synonyms

C72299 | S8720 | AZD4635 (HTL1071) | HTL1071 | HTL-1071 | 1321514-06-0 | AKOS037515559 | IMARADENANT [WHO-DD] | 5-(4-fluorophenyl)-6-(2-chloro-6-methyl-pyridin-4-yl)-1,2,4-triazin-3-amine | NCWQLHHDGDXIJN-UHFFFAOYSA-N | HY-101980 | BS-15183 | A16820 | BDB

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

Imaradenant (AZD4635) Imaradenant (AZD4635, HTL1071) is an oral A2AR antagonist that binds to human A2AR with a Ki of 1.7 nM and with > 30-fold selectivity over other adenosine receptors.

Targets

A2AR (Cell-free) 1.7 nM(Ki)

In vitro

In CHO cells stably expressing human A2AR, the IC50s of AZD4635 for inhibition of cAMP production are 0.79, 10.0 and 142.9 nM in the presense of 0.1, 1 and 10 μM adenosine, respectively.

In vivo

Blockade of A2AR signaling with AZD4635 could reduce tumor burden and enhance antitumor immunity.

Specifications

Synonyms

C72299 | S8720 | AZD4635 (HTL1071) | HTL1071 | HTL-1071 | 1321514-06-0 | AKOS037515559 | IMARADENANT [WHO-DD] | 5-(4-fluorophenyl)-6-(2-chloro-6-methyl-pyridin-4-yl)-1, 2, 4-triazin-3-amine | NCWQLHHDGDXIJN-UHFFFAOYSA-N | HY-101980 | BS-15183 | A16820 | BDB

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Imaradenant (AZD4635, HTL1071) is an oral A2AR antagonist that binds to human A2AR with a Ki of 1.7 nM and with > 30-fold selectivity over other adenosine receptors.

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.

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Adenosine A2a receptor antagonist

Purity

≥98%

Product Properties

• ALogP: 2.6

Names and Identifiers

• Canonical Smiles: CC1=CC(=CC(=N1)Cl)C2=C(N=C(N=N2)N)C3=CC=C(C=C3)F
• IUPAC Name: 6-(2-chloro-6-methylpyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
• InChIKey: NCWQLHHDGDXIJN-UHFFFAOYSA-N
• INCHI: 1S/C15H11ClFN5/c1-8-6-10(7-12(16)19-8)14-13(20-15(18)22-21-14)9-2-4-11(17)5-3-9/h2-7H,1H3,(H2,18,20,22)
• Isomeric SMILES: CC1=CC(=CC(=N1)Cl)C2=C(N=C(N=N2)N)C3=CC=C(C=C3)F
• Molecular Weight: 315.73
• Reaxy-Rn: 21716866
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21716866&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Triazines
      • Subclass Aminotriazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Triazines
• Subclass: Aminotriazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminotriazines
• Alternative Parents: Methylpyridines Fluorobenzenes 2-halopyridines Aryl fluorides Aryl chlorides 1,2,4-triazines Heteroaromatic compounds Azacyclic compounds Primary amines Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminotriazine - 2-halopyridine - Methylpyridine - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - 1,2,4-triazine - Heteroaromatic compound - Azacycle - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Primary amine - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminotriazines. These are organic compounds containing an amino group attached to a triazine ring.
• 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)

ADORA2A Tclin Adenosine receptor A2a (0 Activities)

Discover Target: ADORA2A

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

ADORA2B Tclin Adenosine receptor A2b (0 Activities)

Discover Target: ADORA2B

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

ADORA1 Tclin Adenosine receptor A1 (0 Activities)

Discover Target: ADORA1

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

ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

Discover Target: ADORA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADORA2A Tclin Adenosine A2a receptor (16305 Activities)

Discover Target: ADORA2A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADORA2B Tclin Adenosine A2b receptor (7672 Activities)

Discover Target: ADORA2B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

Discover Target: ADORA3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 63 mg/mL (199.53 mM); Ethanol: 4 mg/mL (12.66 mM); Water: Insoluble
• Molecular Weight: 315.730 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 315.069 Da
• Monoisotopic Mass: 315.069 Da
• Topological Polar Surface Area: 77.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 366.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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