TP 064 is a potent and selective PRMT4 inhibitor; inhibits methylation of H3 (1-25) and MED12 (IC50 values are <10 and 43 nM, respectively). Exhibits >100-fold selectivity over other histone methyltransferases and non-epigenetic targets. Inhibits proliferation of certain multiple myeloma cell lines, arresting cells in G1 phase. TP 064 can be used in vivo. TP 064 inhibits the monocyte/macrophage-driven inflammation in ex vivo.

仕様

同義語

N-Methyl-N-((2-(1-(2-(methylamino)ethyl)piperidin-4-yl)pyridin-4-yl)methyl)-3-phenoxybenzamide

仕様と純度

Moligand™, ≥98%

生化学的・生理学的メカニズム

Potent and selective PRMT4 inhibitor; inhibits methylation of H3 (1-25) and MED12 (IC50values are <10 and 43 nM, respectively). Exhibits >100-fold selectivity over other histone methyltransferases and non-epigenetic targets. Inhibits proliferation of cert

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

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等級

Moligand™

アクションタイプ

INHIBITOR

純度

≥98%

名前と識別子

パブケム・シド

528767423

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/528767423

カノニカル・スマイル

CNCCN1CCC(CC1)C2=NC=CC(=C2)CN(C)C(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

IUPAC Name

N-methyl-N-[[2-[1-[2-(methylamino)ethyl]piperidin-4-yl]pyridin-4-yl]methyl]-3-phenoxybenzamide

InChIKey

VUIITYLFSAXKIQ-UHFFFAOYSA-N

INCHI

1S/C28H34N4O2/c1-29-15-18-32-16-12-23(13-17-32)27-19-22(11-14-30-27)21-31(2)28(33)24-7-6-10-26(20-24)34-25-8-4-3-5-9-25/h3-11,14,19-20,23,29H,12-13,15-18,21H2,1-2H3

異性体SMILES

CNCCN1CCC(CC1)C2=NC=CC(=C2)CN(C)C(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

PubChem CID

122707126

分子量

458.6

ドキュメント

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詳細データ

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - 分類 Benzene and substituted derivatives
    - Subclass Diphenylethers

Kingdom	Organic compounds
Superclass	Benzenoids
分類	Benzene and substituted derivatives
Subclass	Diphenylethers
Intermediate Tree Nodes	Not available
Direct Parent	Diphenylethers
Alternative Parents	Diarylethers Benzamides Phenoxy compounds Phenol ethers Benzoyl derivatives Aralkylamines Pyridines and derivatives Piperidines Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Diphenylether - Diaryl ether - Benzoic acid or derivatives - Benzamide - Phenoxy compound - Phenol ether - Benzoyl - Aralkylamine - Pyridine - Piperidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Ether - Secondary aliphatic amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
説明	This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
External Descriptors	Not available
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

3 D構造

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レビュー

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Lot Number	Certificate Type	日付	商品
H2402498	Certificate of Analysis	Apr 22, 2024	T288253
H2402499	Certificate of Analysis	Apr 22, 2024	T288253
H2402500	Certificate of Analysis	Apr 22, 2024	T288253
H2402501	Certificate of Analysis	Apr 22, 2024	T288253
H2402502	Certificate of Analysis	Apr 22, 2024	T288253
H2402503	Certificate of Analysis	Apr 22, 2024	T288253
H2402504	Certificate of Analysis	Apr 22, 2024	T288253

溶解度	DMSO: 125mg/mL (272.57mM), ultrasonic and warming and heat to 60℃
感度	Moisture sensitive
分子量	458.600 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Exact Mass	458.268 Da
Monoisotopic Mass	458.268 Da
Topological Polar Surface Area	57.700 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	603.000
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

TP 064 - Moligand™, ≥98% , CAS No.2080306-20-1

保管・配送

品質書類

文献的裏付け

概要

仕様