1-[[(2R,4R)-2-[2-(4-chlorophenyl)ethyl]-4-methyl-1,3-dioxolan-2-yl]methyl]imidazole - Moligand™ , Inhibitor of Haem oxygenase 1;Inhibitor of Haem oxygenase 2, CAS No.R608871, Inhibitor of Haem oxygenase 1;Inhibitor of Haem oxygenase 2

CAS: R608871 Cat. No.: R608871 PubChem CID: 11624321

GRADE & PURITY Moligand™

Synonyms

imidazole-dioxolane 1 | compound 1

Storage

Room temperature

Specifications

Synonyms

imidazole-dioxolane 1 | compound 1

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of Haem oxygenase 1;Inhibitor of Haem oxygenase 2

Names and Identifiers

• Canonical Smiles: C[C@@H]1CO[C@@](O1)(CCc1ccc(cc1)Cl)Cn1cncc1
• IUPAC Name: 1-[[(2R,4R)-2-[2-(4-chlorophenyl)ethyl]-4-methyl-1,3-dioxolan-2-yl]methyl]imidazole
• InChIKey: PUVVRSXPYYFNAP-CZUORRHYSA-N
• INCHI: 1S/C16H19ClN2O2/c1-13-10-20-16(21-13,11-19-9-8-18-12-19)7-6-14-2-4-15(17)5-3-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3/t13-,16-/m1/s1
• Isomeric SMILES: C[C@@H]1CO[C@@](O1)(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3
• PubChem CID: 11624321

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylbutylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylbutylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbutylamines
• Alternative Parents: Ketals Chlorobenzenes N-substituted imidazoles Aryl chlorides Heteroaromatic compounds 1,3-dioxolanes Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylbutylamine - Chlorobenzene - Ketal - Halobenzene - Aryl chloride - Aryl halide - N-substituted imidazole - Meta-dioxolane - Azole - Imidazole - Heteroaromatic compound - Acetal - Oxacycle - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.
• 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)

HMOX2 Tchem Heme oxygenase 2 (1 Activities)

Discover Target: HMOX2

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

HMOX1 Tchem Heme oxygenase 1 (2 Activities)

Discover Target: HMOX1

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