IDF-11774 - ≥99% , CAS No.1429054-28-3

CAS: 1429054-28-3 Cat. No.: I414168 분자식: C₂₃H₃₂N₂O₂ 분자량: 368.51

GRADE & PURITY ≥99%

Synonyms

Ethanone,1-​(4-​methyl-​1-​piperazinyl)​-​2-​(4-​tricyclo[3.3.1.13,​7]​dec-​1-​ylphenoxy)​-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Information

IDF-11774 IDF-11774 is a hypoxia-inducible factor-1 (HIF-1) inhibitor. It reduces the HRE-luciferase activity of HIF-1α (IC50 = 3.65 μM) and blocks HIF-1α accumulation under hypoxia in HCT116 human colon cancer cells.

Targets

HIF-1

In vitro

IDF-11774 inhibits the accumulation of HIF-1α in vitro and in vivo in colorectal carcinoma HCT116 cells under hypoxic conditions. The treatment of IDF-11774 suppresses angiogenesis of cancer cells by reducing the expression of HIF-1 target genes, reduces glucose uptake, thereby sensitizing cells to growth under low glucose conditions, and decreases the extracellular acidification rate (ECAR) and oxygen consumption rate of cancer cells. Therefore, IDF-11774 reduces cancer cell growth through the regulation of cancer glycolytic metabolism and energy production.

In vivo

IDF-11774 exhibited substantial anticancer efficacy in mouse models containing KRAS, PTEN, or VHL mutations, which often occur in malignant cancers.

Cell Research(from reference)

Cell lines：HCT116 cells 

Concentrations：5, 10, 20 μM 

Incubation Time：18 h 

Specifications

동의어

Ethanone,1-​(4-​methyl-​1-​piperazinyl)​-​2-​(4-​tricyclo[3.3.1.13,​7]​dec-​1-​ylphenoxy)​-

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

IDF-11774 is a hypoxia-inducible factor-1 (HIF-1) inhibitor. It reduces the HRE-luciferase activity of HIF-1α (IC50 = 3.65 μM) and blocks HIF-1α accumulation under hypoxia in HCT116 human colon cancer cells.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥99%

이름과 식별자

Pubchem Sid

504772153

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504772153

정식 스마일

CN1CCN(CC1)C(=O)COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

IUPAC Name

2-[4-(1-adamantyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone

InChIKey

QGBBBLPWBSWERZ-UHFFFAOYSA-N

INCHI

1S/C23H32N2O2/c1-24-6-8-25(9-7-24)22(26)16-27-21-4-2-20(3-5-21)23-13-17-10-18(14-23)12-19(11-17)15-23/h2-5,17-19H,6-16H2,1H3

이성체 SMILES

CN1CCN(CC1)C(=O)COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

분자량

368.51

Reaxy-Rn

23471159

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23471159&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds N-methylpiperazines Alkyl aryl ethers Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - N-alkylpiperazine - N-methylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with 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: Solubility (25°C) In vitro DMSO: 15 mg/mL (40.7 mM); Ethanol: 5 mg/mL (13.56 mM); Water: Insoluble
• 분자량: 368.500 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 368.246 Da
• Monoisotopic Mass: 368.246 Da
• Topological Polar Surface Area: 32.800 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 505.000
• 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.

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 1429054-28-3, the molecular formula is C23H32N2O2, and the molecular weight is 368.51 g/mol. InChIKey QGBBBLPWBSWERZ-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.