7-formyl-8-hydroxy-5-oxo-1H,2H,3H,4H,5H-chromeno[3,4-c]pyridine-3-carboximidamide - Moligand™ , Inhibitor of endoplasmic reticulum to nucleus signaling 1, CAS No.F609127, Inhibitor of endoplasmic reticulum to nucleus signaling 1

CAS: F609127 Cat. No.: F609127 PubChem CID: 86290500

GRADE & PURITY Moligand™

Synonyms

compound 34

Storage

Room temperature

Specifications

Synonyms

compound 34

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of endoplasmic reticulum to nucleus signaling 1

Names and Identifiers

• Canonical Smiles: O=Cc1c(O)ccc2c1oc(=O)c1c2CCN(C1)C(=N)N
• IUPAC Name: 7-formyl-8-hydroxy-5-oxo-1H,2H,3H,4H,5H-chromeno[3,4-c]pyridine-3-carboximidamide
• InChIKey: YPBDMIVAGFLWPR-UHFFFAOYSA-N
• INCHI: 1S/C14H13N3O4/c15-14(16)17-4-3-7-8-1-2-11(19)10(6-18)12(8)21-13(20)9(7)5-17/h1-2,6,19H,3-5H2,(H3,15,16)
• Isomeric SMILES: C1CN(CC2=C1C3=C(C(=C(C=C3)O)C=O)OC2=O)C(=N)N
• PubChem CID: 86290500

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: Chromenopyridines
• Alternative Parents: Coumarins and derivatives Pyranones and derivatives Aryl-aldehydes 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Heteroaromatic compounds Lactones Guanidines Oxacyclic compounds Carboximidamides Azacyclic compounds Organic oxides Imines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chromenopyridine - Coumarin - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Aryl-aldehyde - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous acid - Guanidine - Lactone - Oxacycle - Carboximidamide - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Imine - Aldehyde - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as chromenopyridines. These are aromatic heterocyclic compounds structurally characterized by a pyridine ring fused to a chromene moiety.
• 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)

ERN1 Tchem Serine/threonine-protein kinase/endoribonuclease IRE1 (1 Activities)

Discover Target: ERN1

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

Mechanisms of Action