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

CAS: 1782573-49-2 Cat. No.: U288519 Formule: C₁₆H₂₂BrClN₂O Poids moléculaire: 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

Synonymes

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

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

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.

Conditions de stockage de stockage

Store at -20°C,Desiccated

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.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504772609

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

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

PubChem CID

90488947

Poids moléculaire

373.72

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Solvent:water, Max Conc. mg/mL: 37.37, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 37.37, Max Conc. mM: 100
• Poids moléculaire: 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

Foire aux questions

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.