Hoechst 34580 - Moligand™, ≥99% , CAS No.23555-00-2

CAS: 23555-00-2 Cat. No.: H412416 Peso molecular: 451.57

GRADE & PURITY Moligand™, ≥99%

Synonyms

N,N-dimethyl-4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline | HOE 34580;HOECHST-34580;HOECHST34580;HOE34580;HOE-34580 | HOE 34580HOE 34580 | HY-15560 | AKOS040744082 | DB04011 | A924225 | Hoechst 34580 | BCP20754 | BS-

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

Hoechst 34580 Hoechst 34580 (HOE 34580) is a cell-permeable blue fluorescent dye to stain DNA and nuclei. Hoechst 34580 is also a good candidate for treating the Alzheimer's disease by inhibiting amyloid beta (Aβ) formation with IC50 of 0.86 μM.

Targets

Aβ (Cell-free assay) 0.86 μM

Specifications

Sinónimos

N, N-dimethyl-4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline | HOE 34580;HOECHST-34580;HOECHST34580;HOE34580;HOE-34580 | HOE 34580HOE 34580 | HY-15560 | AKOS040744082 | DB04011 | A924225 | Hoechst 34580 | BCP20754 | BS-

Especificaciones y pureza

Moligand™, ≥99%

Mecanismos bioquímicos y fisiológicos

Hoechst 34580 (HOE 34580) is a cell-permeable blue fluorescent dye to stain DNA and nuclei. Hoechst 34580 is also a good candidate for treating the Alzheimer's disease by inhibiting amyloid beta (Aβ) formation with IC50 of 0.86 μM.

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥99%

Propiedades del producto

• ALogP: 4.992
• hba_count: 2
• Recuento HBD: 2
• Enlace rotable: 4

Nombres e identificadores

• Pubchem Sid: 488189856
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189856
• Sonrisas canónicas: CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)N(C)C
• IUPAC Name: N,N-dimethyl-4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline
• InChIKey: VMCOQLKKSNQANE-UHFFFAOYSA-N
• INCHI: 1S/C27H29N7/c1-32(2)20-7-4-18(5-8-20)26-28-22-10-6-19(16-24(22)30-26)27-29-23-11-9-21(17-25(23)31-27)34-14-12-33(3)13-15-34/h4-11,16-17H,12-15H2,1-3H3,(H,28,30)(H,29,31)
• Isómeros SMILES: CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)N(C)C
• Peso molecular: 451.57
• Reaxy-Rn: 28832153
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28832153&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzimidazoles
      • Subclass Phenylbenzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzimidazoles
• Subclass: Phenylbenzimidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbenzimidazoles
• Alternative Parents: N-arylpiperazines Phenylimidazoles Dialkylarylamines Aniline and substituted anilines N-methylpiperazines Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylbenzimidazole - N-arylpiperazine - 2-phenylimidazole - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - N-alkylpiperazine - N-methylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Azole - Heteroaromatic compound - Imidazole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to a phenyl group.
• External Descriptors: N-arylpiperazine - N-methylpiperazine - bibenzimidazole

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

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro Water: 90 mg/mL (199.3 mM); DMSO: 5 mg/mL (11.07 mM); Ethanol: Insoluble
• Sensibilidad: light sensitive
• DMSO (mg/ml) Solubilidad máxima: 5
• DMSO (mM) Solubilidad máxima: 11.072480457072
• Agua (mg/ml) Solubilidad máxima: 90
• Agua (mM) Solubilidad máxima: 199.304648227296
• Peso molecular: 451.600 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 451.248 Da
• Monoisotopic Mass: 451.248 Da
• Topological Polar Surface Area: 67.100 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 672.000
• 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

Referencias

1. Tao Shen, Zhenwen Hu, Qingya Liu, Tingyu Lei, Zhenyu Liu.  (2021)  A method to evaluate hydrogen donation ability of hydrogen-storage solvent in hydrogenation process by radical-precursor compounds.  FUEL,      [PMID:] [10.1016/j.fuel.2021.122741]

2. Liu Zhenghua, Xin Peng, Wu Weiwei, Jin Mingyue, Du Yang, Jiang Yuanjun, Liu Tao, Zhang Hao.  (2025)  Nanoparticle-mediated targeting of PGC-1α reveals critical metabolic pathways in bladder cancer metastasis.  Communications Biology,  8  (1): (1-21).  [PMID:40404885] [10.1038/s42003-025-08174-w]