Targapremir 210 - ≥98%(HPLC) , CAS No.1049722-30-6

CAS: 1049722-30-6 Cat. No.: T287830 Fórmula: C₃₂H₃₆N₁₀O₂ Peso molecular: 592.71 PubChem CID: 44221088

GRADE & PURITY ≥98%(HPLC)

Synonyms

N-(3-Azidopropyl)-4-[3-[6-(4-methyl-1-piperazinyl)[2,6'-bi-1H-benzimidazol]-2'-yl]phenoxy]butanamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

N-(3-Azidopropyl)-4-[3-[6-(4-methyl-1-piperazinyl)[2,6'-bi-1H-benzimidazol]-2'-yl]phenoxy]butanamide

Especificações e pureza

≥98%(HPLC)

Mecanismos bioquímicos e fisiológicos

Inhibits formation of miR-210 by binding to pre-miR-210 Dicer binding site (Kd~ 200 nM). Decreases levels of miR-210 and HIF-1α mRNA, and induces apoptosis in MDA-MB-231 cells cultured under hypoxic conditions. Reduces tumor expression of HIF-1α mRNA and

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%(HPLC)

Nomes e identificadores

Sorrisos canónicos

CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)C6=CC(=CC=C6)OCCCC(=O)NCCCN=[N+]=[N-]

IUPAC Name

N-(3-azidopropyl)-4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanamide

InChIKey

PAYVJEWMAWLKAP-UHFFFAOYSA-N

INCHI

1S/C32H36N10O2/c1-41-14-16-42(17-15-41)24-9-11-27-29(21-24)39-32(37-27)23-8-10-26-28(20-23)38-31(36-26)22-5-2-6-25(19-22)44-18-3-7-30(43)34-12-4-13-35-40-33/h2,5-6,8-11,19-21H,3-4,7,12-18H2,1H3,(H,34,43)(H,36,38)(H,37,39)

SMILES isoméricas

CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)C6=CC(=CC=C6)OCCCC(=O)NCCCN=[N+]=[N-]

PubChem CID

44221088

Peso molecular

592.71

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzimidazoles
• Subclass: Phenylbenzimidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbenzimidazoles
• Alternative Parents: N-arylpiperazines Phenylimidazoles Dialkylarylamines Phenol ethers Phenoxy compounds N-methylpiperazines Alkyl aryl ethers N-acyl amines Heteroaromatic compounds Trialkylamines Azo imides Azo compounds Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylbenzimidazole - N-arylpiperazine - 2-phenylimidazole - Phenol ether - Phenoxy compound - Dialkylarylamine - Alkyl aryl ether - N-methylpiperazine - N-alkylpiperazine - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Fatty amide - N-acyl-amine - 1,4-diazinane - Piperazine - Azole - Heteroaromatic compound - Imidazole - Secondary carboxylic acid amide - Amino acid or derivatives - Azo compound - Tertiary amine - Tertiary aliphatic amine - Azo imide - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Amine - Organic zwitterion - Carbonyl group - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrição: 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 59.27, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 59.27, Max Conc. mM: 100
• Peso molecular: 592.700 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 12
• Exact Mass: 592.302 Da
• Monoisotopic Mass: 592.302 Da
• Topological Polar Surface Area: 117.000 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 973.000
• 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

Perguntas frequentes

How should this product be stored?

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

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

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 1049722-30-6, the molecular formula is C??H??N??O?, and the molecular weight is 592.71 g/mol. InChIKey PAYVJEWMAWLKAP-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.