UNC 926 hydrochloride - ≥98% , CAS No.1782573-49-2

CAS: 1782573-49-2 Cat. No.: U288519 Fórmula: C₁₆H₂₂BrClN₂O Peso molecular: 373.72 PubChem CID: 90488947

GRADE & PURITY ≥98%

Synonyms

(3-Bromophenyl)[4-(1-prrolidinyl)-1-piperidinyl]methanone hydrochloride

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

(3-Bromophenyl)[4-(1-prrolidinyl)-1-piperidinyl]methanone hydrochloride

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Methyl-lysine (Kme) reader domain inhibitor; binds to the MBT domain of the L3MBTL1 protein (Kd= 3.9μM). Selectively inhibits the L3MBTL13XMBT-H4K20me1 interaction in a peptide pull down assay.

Condiciones de almacenamiento de almacenamiento

Store at -20°C,Desiccated

Enviado en

Ice chest + Ice pads

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

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504772609

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504772609

Sonrisas canónicas

C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=CC=C3)Br.Cl

IUPAC Name

(3-bromophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochloride

InChIKey

DPPMBBHOXQOMJI-UHFFFAOYSA-N

INCHI

1S/C16H21BrN2O.ClH/c17-14-5-3-4-13(12-14)16(20)19-10-6-15(7-11-19)18-8-1-2-9-18;/h3-5,12,15H,1-2,6-11H2;1H

Isómeros SMILES

C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=CC=C3)Br.Cl

PubChem CID

90488947

Peso molecular

373.72

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-benzoylpiperidines
• Alternative Parents: N-benzoylpiperidines 3-halobenzoic acids and derivatives Benzamides Aminopiperidines Bromobenzenes N-alkylpyrrolidines Aryl bromides Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organobromides Organooxygen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1-benzoylpiperidine - N-benzoylpiperidine - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - N-acyl-piperidine - 4-aminopiperidine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Piperidine - N-alkylpyrrolidine - Pyrrolidine - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Amine - Organonitrogen compound - Organic nitrogen compound - Hydrochloride - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1-benzoylpiperidines. These are compounds containing a piperidine ring substituted at the 1-position with a benzoyl 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

Propiedades químicas y físicas

• Solubilidad: Solvent:water, Max Conc. mg/mL: 37.37, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 37.37, Max Conc. mM: 100
• Peso molecular: 373.700 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 372.06 Da
• Monoisotopic Mass: 372.06 Da
• Topological Polar Surface Area: 23.600 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 335.000
• 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

XLogP3

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 1782573-49-2, the molecular formula is C16H22BrClN2O, and the molecular weight is 373.72 g/mol. InChIKey DPPMBBHOXQOMJI-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.