UNC669 - ≥98% , CAS No.1314241-44-5

CAS: 1314241-44-5 Cat. No.: U275896 Molecular Weight: 338.24 PubChem CID: 46931242

GRADE & PURITY ≥98%

Synonyms

HMS3653O18 | NCGC00347957-09 | (5-bromopyridin-3-yl)(4-(pyrrolidin-1-yl)piperidin-1-yl)methanone | FT-0739051 | Q27166853 | (5-bromo-3-pyridinyl)-[4-(1-pyrrolidinyl)-1-piperidinyl]methanone | CHEBI:95085 | HY-15839 | C15H20BrN3O | EX-A257 | 1314241-44-5 |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Store at +4°C. The product can be stored for up to 12 months.

Specifications

Synonyms

HMS3653O18 | NCGC00347957-09 | (5-bromopyridin-3-yl)(4-(pyrrolidin-1-yl)piperidin-1-yl)methanone | FT-0739051 | Q27166853 | (5-bromo-3-pyridinyl)-[4-(1-pyrrolidinyl)-1-piperidinyl]methanone | CHEBI:95085 | HY-15839 | C15H20BrN3O | EX-A257 | 1314241-44-5 |

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Selective, competitive L3MBTL antagonist (IC 50 = 5 µM). Inhibits L3MBTL induced transcription repression. Active in vitro .

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.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504770877
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770877
• Canonical Smiles: C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=CN=C3)Br
• IUPAC Name: (5-bromopyridin-3-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
• InChIKey: CQERVFFAOOUFEQ-UHFFFAOYSA-N
• INCHI: 1S/C15H20BrN3O/c16-13-9-12(10-17-11-13)15(20)19-7-3-14(4-8-19)18-5-1-2-6-18/h9-11,14H,1-8H2
• Isomeric SMILES: C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=CN=C3)Br
• PubChem CID: 46931242
• Molecular Weight: 338.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids and derivatives
• Alternative Parents: N-acylpiperidines Aminopiperidines N-alkylpyrrolidines Aryl bromides Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-acyl-piperidine - Pyridine carboxylic acid or derivatives - 4-aminopiperidine - Aryl bromide - Aryl halide - Piperidine - N-alkylpyrrolidine - Heteroaromatic compound - Pyrrolidine - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic nitrogen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids and derivatives. These are compounds containing a pyridine ring bearing a carboxylic acid group or a derivative thereof.
• 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)

AOX1 Tchem Aldehyde oxidase (429 Activities)

Discover Target: AOX1

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

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

PHF13 Tbio PHD finger protein 13 (2 Activities)

Discover Target: PHF13

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

KDM5A Tchem Lysine-specific demethylase 5A (893 Activities)

Discover Target: KDM5A

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

PHF23 Tbio PHD finger protein 23 (81 Activities)

Discover Target: PHF23

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

UHRF1 Tbio E3 ubiquitin-protein ligase UHRF1 (160 Activities)

Discover Target: UHRF1

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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water to 25 mM and in DMSO to 100 mM
• Molecular Weight: 338.240 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 337.079 Da
• Monoisotopic Mass: 337.079 Da
• Topological Polar Surface Area: 36.400 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 338.000
• 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