TM N1324 - ≥98%(HPLC) , CAS No.1144477-35-9

CAS: 1144477-35-9 Cat. No.: T287495 Molecular Weight: 397.79 PubChem CID: 135634901

GRADE & PURITY ≥98%(HPLC)

Synonyms

4-(2-Chloro-4-fluorophenyl)-1,4,5,7-tetrahydro-3-methyl-1-(9H-purin-6-yl)-6H-pyrazolo[3,4-b]pyridin-6-one

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product description

TM-N1324 is an agonist of G-Protein-Coupled Receptor 39 (GPR39) with EC50s of 9 nM/5 nM in the presence of Zn2+, and 280 nM/180 nM in the absence of Zn2+ for human/murine GPR39.

Specifications

Synonyms

4-(2-Chloro-4-fluorophenyl)-1, 4, 5, 7-tetrahydro-3-methyl-1-(9H-purin-6-yl)-6H-pyrazolo[3, 4-b]pyridin-6-one

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Potent and selective GPR39 agonist (IC50values are 280 and 9 nM in the absence and presence of Zn2+, respectively). Exhibits no significant activity against a panel of 165 other GPCRs. Inhibits the release of ghrelin and somatostatin from primary gastric

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.

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: CC1=NN(C2=C1C(CC(=O)N2)C3=C(C=C(C=C3)F)Cl)C4=NC=NC5=C4NC=N5
• IUPAC Name: 4-(2-chloro-4-fluorophenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
• InChIKey: CYQNVXRIWKKWQG-UHFFFAOYSA-N
• INCHI: 1S/C18H13ClFN7O/c1-8-14-11(10-3-2-9(20)4-12(10)19)5-13(28)25-17(14)27(26-8)18-15-16(22-6-21-15)23-7-24-18/h2-4,6-7,11H,5H2,1H3,(H,25,28)(H,21,22,23,24)
• Isomeric SMILES: CC1=NN(C2=C1C(CC(=O)N2)C3=C(C=C(C=C3)F)Cl)C4=NC=NC5=C4NC=N5
• PubChem CID: 135634901
• Molecular Weight: 397.79

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Purines and purine derivatives
• Alternative Parents: Fluorobenzenes Chlorobenzenes Pyrimidines and pyrimidine derivatives Aryl fluorides Aryl chlorides Pyrazoles Imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine - Halobenzene - Fluorobenzene - Chlorobenzene - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl chloride - Heteroaromatic compound - Pyrazole - Imidazole - Azole - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole 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)

GPR39 Tchem G-protein coupled receptor 39 (2 Activities)

Discover Target: GPR39

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

CCR1 Tchem C-C chemokine receptor type 1 (1730 Activities)

Discover Target: CCR1

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

CCR5 Tclin C-C chemokine receptor type 5 (5640 Activities)

Discover Target: CCR5

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

MLNR Tchem Motilin receptor (1724 Activities)

Discover Target: MLNR

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

GHSR Tclin Ghrelin receptor (6229 Activities)

Discover Target: GHSR

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

Liver (3974 Activities)

Explore this target

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

NMUR2 Tchem Neuromedin-U receptor 2 (383 Activities)

Discover Target: NMUR2

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

GPR39 Tchem G-protein coupled receptor 39 (216 Activities)

Discover Target: GPR39

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

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Plasma (328 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 3.98, Max Conc. mM: 10 with gentle warming
• Molecular Weight: 397.800 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 397.085 Da
• Monoisotopic Mass: 397.085 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 614.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Zhibao Zhang, Mingyi Tan, Xin Liu, Wenhua Wang, Xiang Chen, Cong Peng, Shuang Zhao, Lisha Wu.  (2026)  Activation of Unfolded Protein Response Pathways Promotes Keratinocyte Differentiation and Ameliorates Psoriasis Phenotypes.  CELL STRESS & CHAPERONES,      [PMID:41765076] [10.1016/j.cstres.2026.100163]