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Imaradenant

CAT: 0804-HY-101980-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-101980-01Size:5 mg
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Description
AZD4635 (HTL1071) is a potent, selective and orally active adenosine A2A receptor (A2AR) antagonist. AZD4635 binds to human A2AR with a Ki of 1.7 nM and shows >30-fold selectivity over other adenosine receptors[1].
CAS Number
1321514-06-0
Product Name Alternative
HTL1071; AZD4635
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Adenosine Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/AZD4635.html
Purity
99.68
Solubility
DMSO : ≥ 83.3 mg/mL
Smiles
NC1=NC(C2=CC=C(F)C=C2)=C(C3=CC(Cl)=NC(C)=C3)N=N1
Molecular Formula
C15H11ClFN5
Molecular Weight
315.73
Precautions
H302, H315, H319, H335
References & Citations
[1]Alexandra Borodovsky, et al. Abstract 5580: Preclinical pharmacodynamics and antitumor activity of AZD4635, a novel adenosine 2A receptor inhibitor that reverses adenosine mediated T cell suppression. AACR; Cancer Res 2017;77 (13 Suppl) :Abstract nr 5580.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2

Chemical Information

Imaradenant

Imaradenant is under investigation in clinical trial NCT03381274 (Oleclumab (MEDI9447) Egfrm NSCLC Novel Combination Study).

CAS Number1321514-06-0
PubChem CID86676119
IUPAC Name6-(2-chloro-6-methyl-4-pyridinyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
Molecular FormulaC15H11ClFN5
Molecular Weight315.73
XLogP2.6
Topological Polar Surface Area77.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity366
SMILES
CC1=CC(=CC(=N1)Cl)C2=C(N=C(N=N2)N)C3=CC=C(C=C3)F
InChI
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)
InChIKey
NCWQLHHDGDXIJN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Imaradenant
CAS: 1321514-06-0
CID: 86676119
Formula: C15H11ClFN5
MW: 315.73
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight315.73
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass315.0687012
Monoisotopic Mass315.0687012
Topological Polar Surface Area77.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity366
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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