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

CAS: 890190-22-4 Cat. No.: W288848 분자식: C₂₁H₂₅N₃O₄ 분자량: 383.44 EC 번호: 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

동의어

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 |

사양 및 순도

≥99%(HPLC)

생화학 및 생리적 메커니즘

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.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥99%(HPLC)

이름과 식별자

Pubchem Sid

504764242

Pubchem Sid Url

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

정식 스마일

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)

이성체 SMILES

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

PubChem CID

6457069

분자량

383.44

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(인간)

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

관련 대상(비인간)

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solvent:DMSO, Max Conc. mg/mL: 38.34, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 19.17, Max Conc. mM: 50
• 분자량: 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