OB 24 hydrochloride - ≥98%(HPLC) , CAS No.939825-12-4

CAS: 939825-12-4 Cat. No.: O287680 Molecular Weight: 373.67

GRADE & PURITY ≥98%(HPLC)

Synonyms

SCHEMBL407935 | UNII-B2FQJ9RF5L | 1-[[2-[2-(4-Bromophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]-1H-imidazole hydrochloride | 1H-Imidazole, 1-((2-(2-(4-bromophenyl)ethyl)-1,3-dioxolan-2-yl)methyl)-, hydrochloride (1:1) | 2-(2-(4-Bromophenyl)ethyl)-2-((1H-imidaz

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

OB-24 is a potent inhibitor of heme oxygenase-1 (HO-1). Heme oxygenase-1, a member of the heat shock protein family, plays a key role as a sensor and regulator of oxidative stress. OB-24 significantly inhibited cell proliferation in vitro and tumor growth and lymph node/lung metastases in vivo. OB-24 has potential for the research of advanced prostate cancer (PCA).

Specifications

Synonyms

SCHEMBL407935 | UNII-B2FQJ9RF5L | 1-[[2-[2-(4-Bromophenyl)ethyl]-1, 3-dioxolan-2-yl]methyl]-1H-imidazole hydrochloride | 1H-Imidazole, 1-((2-(2-(4-bromophenyl)ethyl)-1, 3-dioxolan-2-yl)methyl)-, hydrochloride (1:1) | 2-(2-(4-Bromophenyl)ethyl)-2-((1H-imidaz

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Potent and selective heme oxygenase 1 (HO-1) inhibitor (IC50values are 1.9 and >100 μM for HO-1 and HO-2 respectively), reduces protein carbonylation and reactive oxygen species formation in advanced prostate cancer cells (PCA). Inhibits cell proliferatio

Storage

Store at -20°C, Desiccated

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: C1COC(O1)(CCC2=CC=C(C=C2)Br)CN3C=CN=C3.Cl
• IUPAC Name: 1-[[2-[2-(4-bromophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride
• InChIKey: YSOWYXRHOAXXTG-UHFFFAOYSA-N
• INCHI: 1S/C15H17BrN2O2.ClH/c16-14-3-1-13(2-4-14)5-6-15(19-9-10-20-15)11-18-8-7-17-12-18;/h1-4,7-8,12H,5-6,9-11H2;1H
• Isomeric SMILES: C1COC(O1)(CCC2=CC=C(C=C2)Br)CN3C=CN=C3.Cl
• Molecular Weight: 373.67
• Reaxy-Rn: 11085683
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11085683&ln=

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 Bromobenzenes N-substituted imidazoles Aryl bromides Heteroaromatic compounds 1,3-dioxolanes Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylbutylamine - Ketal - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - N-substituted imidazole - Meta-dioxolane - Azole - Heteroaromatic compound - Imidazole - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrochloride - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organohalogen compound - Organobromide - Organonitrogen 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 (250 Activities)

Discover Target: HMOX2

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

HMOX1 Tchem Heme oxygenase 1 (32 Activities)

Discover Target: HMOX1

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:water, Max Conc. mg/mL: 37.37, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 37.37, Max Conc. mM: 100
• Molecular Weight: 373.670 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 372.024 Da
• Monoisotopic Mass: 372.024 Da
• Topological Polar Surface Area: 36.300 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 302.000
• 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: 2

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