Apoptozole - ≥99% , CAS No.1054543-47-3

CAS: 1054543-47-3 Cat. No.: A345787 Formule: C₃₃H₂₅F₆N₃O₃ Poids moléculaire: 625.56

GRADE & PURITY ≥99%

Synonyms

CCG-270274 | Apoptosis Activator VII, Apoptozole | 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)-1H-imidazol-1-yl]methyl]benzamide | 1054543-47-3 | UNII-WD0EH16QCD | 4-((2-(3,5-bis(trifluoromethyl)phenyl)-4,5-bis(4-methoxyphenyl)-1H-imid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Apoptosis Activator VII, Apoptozole is a cell-permeable imidazole compound that directly binds anti-apoptotic chaperone Hsc70 and its inducible homologue Hsp70 (K|d|= 210 and 140 nM, respectively). Apoptozole is shown to effectively inhibit the proliferation of SK-OV-3, HCT-15, and A549 cancer cell lines (IC|50|= 220, 250 and 130 nM, respectively) and induce 90% apoptotic cell death in P19 embryonic carcinoma and A549 lung cancer cultures after 12 hours drug treatment (1 μM).

Specifications

Synonymes

CCG-270274 | Apoptosis Activator VII, Apoptozole | 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)-1H-imidazol-1-yl]methyl]benzamide | 1054543-47-3 | UNII-WD0EH16QCD | 4-((2-(3,5-bis(trifluoromethyl)phenyl)-4,5-bis(4-methoxyphenyl)-1H-imid

Spécifications et pureté

≥99%

Mécanismes biochimiques et physiologiques

Apoptozole induces caspase dependent apoptosis by blocking interaction of HSP70 with APAF-1, without affecting interactions of HSP70 with ASK1, JNK, BAX, and AIF. However, apoptozole may form aggregates under aqueous conditions that could interact with HS

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Pureté

≥99%

Noms et identifiants

Pubchem Sid

504769898

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504769898

Sourires canoniques

COC1=CC=C(C=C1)C2=C(N(C(=N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)CC4=CC=C(C=C4)C(=O)N)C5=CC=C(C=C5)OC

IUPAC Name

4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide

InChIKey

ZIMMTPFXOMAJTQ-UHFFFAOYSA-N

INCHI

1S/C33H25F6N3O3/c1-44-26-11-7-20(8-12-26)28-29(21-9-13-27(45-2)14-10-21)42(18-19-3-5-22(6-4-19)30(40)43)31(41-28)23-15-24(32(34,35)36)17-25(16-23)33(37,38)39/h3-17H,18H2,1-2H3,(H2,40,43)

Isomères SMILES

COC1=CC=C(C=C1)C2=C(N(C(=N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)CC4=CC=C(C=C4)C(=O)N)C5=CC=C(C=C5)OC

Poids moléculaire

625.56

Reaxy-Rn

18476007

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18476007&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Phenylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Phenylimidazoles
• Alternative Parents: Trifluoromethylbenzenes 1,2,4,5-tetrasubstituted imidazoles Benzamides Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers N-substituted imidazoles Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Alkyl fluorides Organofluorides Organonitrogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-phenylimidazole - 5-phenylimidazole - 4-phenylimidazole - Trifluoromethylbenzene - 1,2,4,5-tetrasubstituted imidazole - Benzamide - Benzoic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - N-substituted imidazole - Heteroaromatic compound - Primary carboxylic acid amide - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Alkyl fluoride - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Alkyl halide - Organic oxide - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
• 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in DMSO (50 mg/ml), and ethanol (5 mg/ml).
• Indice de réfraction: n20D~1.57 (Predicted)
• Point de fusion (°C): 223-225° C
• Poids moléculaire: 625.600 g/mol
• XLogP3: 7.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 625.18 Da
• Monoisotopic Mass: 625.18 Da
• Topological Polar Surface Area: 79.400 Ų
• Heavy Atom Count: 45
• Formal Charge: 0
• Complexity: 936.000
• 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: 1

Foire aux questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1054543-47-3, the molecular formula is C33H25F6N3O3, and the molecular weight is 625.56 g/mol. InChIKey ZIMMTPFXOMAJTQ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.