WDR5 0103 - ≥99%(HPLC) , CAS No.890190-22-4

CAS: 890190-22-4 Cat. No.: W288848 分子式: C₂₁H₂₅N₃O₄ 分子量: 383.44 EC番号: 806-014-0 PubChem CID: 6457069

GRADE & PURITY ≥99%(HPLC)

Synonyms

AKOS000474749 | Methyl 3-[(3-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate | 0BW | 3-[(3-Methoxybenzoyl)amino]-4-(4-methyl-1-piperazinyl)benzoic acid methyl ester | BCP24157 | WDR5-0103 | WDR5-0103;WDR50103;WD-Repeat Protein 5-0103 | HY-19347 |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

同義語

AKOS000474749 | Methyl 3-[(3-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate | 0BW | 3-[(3-Methoxybenzoyl)amino]-4-(4-methyl-1-piperazinyl)benzoic acid methyl ester | BCP24157 | WDR5-0103 | WDR5-0103;WDR50103;WD-Repeat Protein 5-0103 | HY-19347 |

仕様と純度

≥99%(HPLC)

生化学的・生理学的メカニズム

WD repeat-containing protein 5 (WDR5) antagonist (Kd= 450 nM). Disrupts WDR5 interaction with MLL and inhibits MLL core complex methyltransferase activityin vitro. Has no effect on a panel of seven other methyltransferases, including SETD7.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥99%(HPLC)

名前と識別子

パブケム・シド

504764242

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504764242

カノニカル・スマイル

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC(=CC=C3)OC

IUPAC Name

methyl 3-[(3-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate

InChIKey

ZPLBXOVTSNRBFB-UHFFFAOYSA-N

INCHI

1S/C21H25N3O4/c1-23-9-11-24(12-10-23)19-8-7-16(21(26)28-3)14-18(19)22-20(25)15-5-4-6-17(13-15)27-2/h4-8,13-14H,9-12H2,1-3H3,(H,22,25)

異性体SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC(=CC=C3)OC

PubChem CID

6457069

分子量

383.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Phenylpiperazines N-arylpiperazines Aminobenzoic acids and derivatives Benzoic acid esters Benzamides Aniline and substituted anilines Anisoles Phenoxy compounds Benzoyl derivatives Dialkylarylamines Methoxybenzenes Alkyl aryl ethers N-methylpiperazines Methyl esters Secondary carboxylic acid amides Amino acids and derivatives Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzanilide - Phenylpiperazine - N-arylpiperazine - Aminobenzoic acid or derivatives - Benzoate ester - Benzamide - Benzoic acid or derivatives - Tertiary aliphatic/aromatic amine - Phenol ether - Phenoxy compound - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Anisole - Benzoyl - Alkyl aryl ether - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Methyl ester - Tertiary amine - Tertiary aliphatic amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxylic acid ester - Carboxamide group - Ether - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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

関連ターゲット（人間）

WDR5 Tchem WD repeat-containing protein 5 (979 Activities)

Discover Target: WDR5

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

関連ターゲット（非人間）

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Solvent:DMSO, Max Conc. mg/mL: 38.34, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 19.17, Max Conc. mM: 50
• 分子量: 383.400 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 383.185 Da
• Monoisotopic Mass: 383.185 Da
• Topological Polar Surface Area: 71.100 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 536.000
• 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