DMA - ≥97% , CAS No.188860-26-6

CAS: 188860-26-6 Cat. No.: D125044 Formula: C₂₇H₂₈N₆O₂ Molecular Weight: 468.55

GRADE & PURITY ≥97%

Synonyms

2-(3,4-dimethoxyphenyl)-5-(5-(4 methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-1h-benzimidazole|DMA (hydrochloride)|2,5'-Bi-1H-benzimidazole, 2'-(3,4-dimethoxyphenyl)-5-(4-methyl-1-piperazinyl)-|2'-(3,4-Dimethoxyphenyl)-5-(4-methylpiperazin-1-yl)-1H,1'H-2,5'-bibenzo[d]imidazole|2'-(3,4-Dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H,3'H-2,5'-bibenzimidazole|2-(3,4-dimethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

DMA is a fluorescent compound (λex=340 nm, λem=478 nm).

Specifications

Synonyms

2-(3,4-dimethoxyphenyl)-5-(5-(4 methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-1h-benzimidazole | DMA (hydrochloride) | 2,5'-Bi-1H-benzimidazole, 2'-(3,4-dimethoxyphenyl)-5-(4-methyl-1-piperazinyl)- | 2'-(3,4-Dimethoxyphenyl)-5-(4-methylpiperazin-1-yl)-1H,1'H-2,5'-bibenzo[d]imidazole | 2'-(3,4-Dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H,3 Show more

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

Description:
IC50 Value: N/A
Hoechst stains are part of a family of blue fluorescent dyes used to stain DNA. These Bis-benzimides were originally developed by Hoechst AG, which numbered all their compounds so that the dye Hoechs

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

Pubchem Sid

504765296

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765296

Canonical Smiles

CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)C6=CC(=C(C=C6)OC)OC

IUPAC Name

2-(3,4-dimethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole

InChIKey

BMRRDFCQNOZNNR-UHFFFAOYSA-N

INCHI

1S/C27H28N6O2/c1-32-10-12-33(13-11-32)19-6-8-21-23(16-19)31-26(29-21)17-4-7-20-22(14-17)30-27(28-20)18-5-9-24(34-2)25(15-18)35-3/h4-9,14-16H,10-13H2,1-3H3,(H,28,30)(H,29,31)

Isomeric SMILES

CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)C6=CC(=C(C=C6)OC)OC

Molecular Weight

468.55

Reaxy-Rn

21138863

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21138863&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzimidazoles
• Subclass: Phenylbenzimidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbenzimidazoles
• Alternative Parents: N-arylpiperazines Phenylimidazoles Dimethoxybenzenes Phenoxy compounds Dialkylarylamines Anisoles N-methylpiperazines Alkyl aryl ethers Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylbenzimidazole - N-arylpiperazine - 2-phenylimidazole - O-dimethoxybenzene - Dimethoxybenzene - Tertiary aliphatic/aromatic amine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Dialkylarylamine - Alkyl aryl ether - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Tertiary aliphatic amine - Tertiary amine - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: 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: 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)

MCF7 (126967 Activities)

Explore this target

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

HeLa (62764 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: 25°C: DMSO or water Protect from light
• Molecular Weight: 468.500 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 468.227 Da
• Monoisotopic Mass: 468.227 Da
• Topological Polar Surface Area: 82.300 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 705.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥97% 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 188860-26-6, the molecular formula is C27H28N6O2, and the molecular weight is 468.55 g/mol. InChIKey BMRRDFCQNOZNNR-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.