10074-A4 - Moligand™,≥98% , CAS No.312631-87-1

CAS: 312631-87-1 Cat. No.: A648990 분자식: C₁₈H₁₄Cl₂N₂O₃S 분자량: 409.29 PubChem CID: 2836204

GRADE & PURITY Moligand™, ≥98%

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

개요

10074-A4 is a c-Myc inhibitor. 10074-A4 could bind to c-Myc 370-409 at different sites along the peptide chain. 10074-A4 has anticancer effects.

In Vitro

10074-A4 shows inhibitory activity of HL-60 cells with an IC 50 of 15.1 μM. 10074-A4 (25-50 μM; 24 hours) arrests the cell cycle at the S-phase in a dose-dependent manner in HL-60 cells. 10074-A4 inhibits the mRNA level of the c-Myc target genes, CCND2 and CDK4. 10074-A4 could bind to c-Myc 370-409 at different sites along the peptide chain and its binding behavior could be described as a ‘ligand cloud’. Even in the bound state, the structure of the c-Myc 370-409 peptide remained a dynamic ensemble. The 10074-A4 ligand bound at different sites throughout the c-Myc 370-409 chain with different strength. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: HL-60 cells Concentration: 25 μM, 50 μM Incubation Time: 24 hours Result: Arrested the cell cycle at the S-phase.

Form:Solid

Specifications

사양 및 순도

Moligand™,≥98%

생화학 및 생리적 메커니즘

10074-A4 is a c-Myc inhibitor . 10074-A4 could bind to c-Myc 370-409 at different sites along the peptide chain. 10074-A4 has anticancer effects.

보관 조건

Store at 2-8°C,Protected from light,Argon charged

배송

Wet ice

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

등급

Moligand™

작업 유형

INHIBITOR

순수함

≥98%

이름과 식별자

• 정식 스마일: C1C(=O)N(C(=O)S1)CC(CN2C3=C(C=C(C=C3)Cl)C4=C2C=CC(=C4)Cl)O
• IUPAC Name: 3-[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-1,3-thiazolidine-2,4-dione
• InChIKey: SCNHANGMZXFWOH-UHFFFAOYSA-N
• INCHI: 1S/C18H14Cl2N2O3S/c19-10-1-3-15-13(5-10)14-6-11(20)2-4-16(14)21(15)7-12(23)8-22-17(24)9-26-18(22)25/h1-6,12,23H,7-9H2
• 이성체 SMILES: C1C(=O)N(C(=O)S1)CC(CN2C3=C(C=C(C=C3)Cl)C4=C2C=CC(=C4)Cl)O
• PubChem CID: 2836204
• 분자량: 409.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: N-alkylindoles Indoles Thiazolidinediones Aryl chlorides Substituted pyrroles Benzenoids Dicarboximides Heteroaromatic compounds Thiocarbamic acid derivatives Secondary alcohols Organic carbonic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Carbonyl compounds Organochlorides Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - N-alkylindole - Indole - Thiazolidinedione - Aryl chloride - Aryl halide - Substituted pyrrole - Benzenoid - Dicarboximide - Pyrrole - Heteroaromatic compound - Thiazolidine - Secondary alcohol - Thiocarbamic acid derivative - Carbonic acid derivative - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organonitrogen compound - Organic oxide - Alcohol - Organooxygen compound - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
• 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

화학 및 물리적 특성

• 용해성: DMSO : 125 mg/mL (305.41 mM; Need ultrasonic)
• 감도: Light sensitive
• 분자량: 409.300 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 408.01 Da
• Monoisotopic Mass: 408.01 Da
• Topological Polar Surface Area: 87.800 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 555.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1