IMD-0560 - Moligand™,≥99% , CAS No.439144-66-8

CAS: 439144-66-8 Cat. No.: I647207 분자식: C₁₅H₈BrF₆NO₂ 분자량: 428.12 PubChem CID: 11464503

GRADE & PURITY Moligand™, ≥99%

Synonyms

n-(2,5-bis(trifluoromethyl)phenyl)-5-bromo-2-hydroxybenzamide | Q27258424 | 419X829330 | MS-27565 | 5-Bromo-2-hydroxy-N-[2,5-bis(trifluoromethyl)phenyl]benzamide | SCHEMBL331595 | AKOS040741873 | Benzamide, N-(2,5-bis(trifluoromethyl)phenyl)-5-bromo-2-hyd

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

IMD-0560 is a novel IκB kinase β inhibitor.

In Vitro

Pretreatment with IMD-0560 inhibits both IκBα degradation and p65 phosphorylation induced by TNFα. IMD-0560 also suppresses TNFα-induced transcriptional activity. Pretreatment with IMD-0560 strongly inhibits TNFα-induced cell invasion. Pretreatment with IMD-0560 suppresses MMP-9 activity by inhibiting MMP-9 expression. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

The tumor size is reduced in the IMD-0560-treated groups in a dose-dependent manner, and no tumor is detected in some mice treated with 5 mg/kg IMD-0560. Zygoma destruction is significantly suppressed in the IMD-0560-treated groups compare to the control groups. Although the tumor size in the 5 mg/kg IMD-0560-treated group is smaller than that of the 3 mg/kg IMD-0560-treated group, the inhibitory effect of each treatment on zygoma destruction is similar . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:IKKβ

Specifications

동의어

n-(2,5-bis(trifluoromethyl)phenyl)-5-bromo-2-hydroxybenzamide | Q27258424 | 419X829330 | MS-27565 | 5-Bromo-2-hydroxy-N-[2,5-bis(trifluoromethyl)phenyl]benzamide | SCHEMBL331595 | AKOS040741873 | Benzamide, N-(2,5-bis(trifluoromethyl)phenyl)-5-bromo-2-hyd

사양 및 순도

Moligand™,≥99%

생화학 및 생리적 메커니즘

IMD-0560 is a novel IκB kinase β inhibitor.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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

등급

Moligand™

작업 유형

INHIBITOR

순수함

≥99%

이름과 식별자

• 정식 스마일: C1=CC(=C(C=C1C(F)(F)F)NC(=O)C2=C(C=CC(=C2)Br)O)C(F)(F)F
• IUPAC Name: N-[2,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxybenzamide
• InChIKey: SVGRIJCSKWXOPA-UHFFFAOYSA-N
• INCHI: 1S/C15H8BrF6NO2/c16-8-2-4-12(24)9(6-8)13(25)23-11-5-7(14(17,18)19)1-3-10(11)15(20,21)22/h1-6,24H,(H,23,25)
• 이성체 SMILES: C1=CC(=C(C=C1C(F)(F)F)NC(=O)C2=C(C=CC(=C2)Br)O)C(F)(F)F
• 대체 CAS: 439144-66-8
• PubChem CID: 11464503
• MeSH 용어: IMD-0560;N-(2,5-bis(trifluoromethyl)phenyl)-5-bromo-2-hydroxybenzamide
• 분자량: 428.12

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: 3-halobenzoic acids and derivatives Trifluoromethylbenzenes Salicylamides Benzamides Benzoyl derivatives P-bromophenols Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Vinylogous acids Secondary carboxylic acid amides Organonitrogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl fluorides Organooxygen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Trifluoromethylbenzene - Salicylamide - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Salicylic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - 4-halophenol - 4-bromophenol - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Halobenzene - Phenol - Aryl bromide - Aryl halide - Vinylogous acid - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Alkyl halide - Organic oxygen compound - Alkyl fluoride - Organic nitrogen compound - Organofluoride - Hydrocarbon derivative - Organonitrogen compound - Organohalogen compound - Organobromide - Aromatic homomonocyclic 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

화학 및 물리적 특성

• 용해성: Ethanol : 50 mg/mL (116.79 mM; Need ultrasonic)
• 분자량: 428.120 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 426.964 Da
• Monoisotopic Mass: 426.964 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 484.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 439144-66-8, the molecular formula is C15H8BrF6NO2, and the molecular weight is 428.12 g/mol. InChIKey SVGRIJCSKWXOPA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.