UNC-926 - ≥98%(HPLC) , CAS No.1184136-10-4

CAS: 1184136-10-4 Cat. No.: U135528 Fórmula: C₁₆H₂₁BrN₂O Peso molecular: 337.25 PubChem CID: 61041645

GRAU & PUREZA ≥98%(HPLC)

Synonyms

(3-Bromophenyl)[4-(1-pyrrolidinyl)-1-piperidinyl]-methanone

Storage

Store at 2-8°C

Shipped In

Wet ice

Especificações

Sinónimos

(3-Bromophenyl)[4-(1-pyrrolidinyl)-1-piperidinyl]-methanone

Especificações e pureza

≥98%(HPLC)

Mecanismos bioquímicos e fisiológicos

UNC926 is a specific antagonist of the methyl-lysine binding protein L3MBTL1, a member of a protein family that reads the methylation state of histone lysine residues to direct gene expression. UNC926 dose dependently blocks the interaction of recombinant

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

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

Pureza

≥98%(HPLC)

Nomes e identificadores

Pubchem Sid

504771812

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504771812

Sorrisos canónicos

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

IUPAC Name

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

InChIKey

OWGLFIKZKQOYHZ-UHFFFAOYSA-N

INCHI

1S/C16H21BrN2O/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

SMILES isoméricas

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

WGK Alemanha

2

PubChem CID

61041645

Peso molecular

337.25

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 Bromobenzenes Aminopiperidines N-alkylpyrrolidines Aryl bromides Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Azacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-benzoylpiperidine - 1-benzoylpiperidine - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - N-acyl-piperidine - 4-aminopiperidine - Bromobenzene - Halobenzene - Piperidine - N-alkylpyrrolidine - Aryl bromide - Aryl halide - Tertiary carboxylic acid amide - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organooxygen compound - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrição: 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

Alvos associados (humanos)

L3MBTL1 Tchem Lethal(3)malignant brain tumor-like protein 1 (14536 Activities)

Discover Target: L3MBTL1

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

L3MBTL3 Tchem Lethal(3)malignant brain tumor-like protein 3 (224 Activities)

Discover Target: L3MBTL3

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

L3MBTL4 Tbio Lethal(3)malignant brain tumor-like protein 4 (125 Activities)

Discover Target: L3MBTL4

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

MBTD1 Tbio MBT domain-containing protein 1 (145 Activities)

Discover Target: MBTD1

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

SFMBT1 Tbio Scm-like with four mbt domains 1, isoform CRA_b (107 Activities)

Discover Target: SFMBT1

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

CBX7 Tchem Chromobox protein homolog 7 (354 Activities)

Discover Target: CBX7

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

TP53BP1 Tbio Tumor suppressor p53-binding protein 1 (103 Activities)

Discover Target: TP53BP1

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

Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO: 2 mg/mL, clear (warmed)
• Ponto de inflamação (°F): 57.2 °F
• Ponto de inflamação (°C): 14 °C
• Peso molecular: 337.250 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 336.084 Da
• Monoisotopic Mass: 336.084 Da
• Topological Polar Surface Area: 23.600 Ų
• Heavy Atom Count: 20
• 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: 1

Perguntas frequentes

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 should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. 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 1184136-10-4, the molecular formula is C16H21BrN2O, and the molecular weight is 337.25 g/mol. InChIKey OWGLFIKZKQOYHZ-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.