MCP110 - ≥98% , CAS No.521310-51-0

CAS: 521310-51-0 Cat. No.: M413673 분자식: C₃₃H₃₆N₂O₃ 분자량: 508.65

GRADE & PURITY ≥98%

Synonyms

Benzenepentanamide,N-​[[3-​methoxy-​4-​(phenylmethoxy)​phenyl]​methyl]​-​N-​[2-​(2-​pyridinyl)​ethyl]​-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Information

MCP110 is an inhibitor ofRas/Raf-1interaction. MCP110 disrupts the interaction of activated Ras with Raf and is potential for the treatment of human tumors.

Targets

Raf-1 ; Ras-Raf interaction

Specifications

동의어

Benzenepentanamide,N-​[[3-​methoxy-​4-​(phenylmethoxy)​phenyl]​methyl]​-​N-​[2-​(2-​pyridinyl)​ethyl]​-

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

MCP110 is an inhibitor of Ras/Raf-1 interaction. MCP110 disrupts the interaction of activated Ras with Raf and is potential for the treatment of human tumors.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

제품 특성

• ALogP: 6.677
• hba_count: 4
• 회전 가능한 결합: 14

이름과 식별자

• Pubchem Sid: 488196594
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196594
• 정식 스마일: COC1=C(C=CC(=C1)CN(CCC2=CC=CC=N2)C(=O)CCCCC3=CC=CC=C3)OCC4=CC=CC=C4
• IUPAC Name: N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-phenyl-N-(2-pyridin-2-ylethyl)pentanamide
• InChIKey: JWLZIHLAMJDONF-UHFFFAOYSA-N
• INCHI: 1S/C33H36N2O3/c1-37-32-24-29(19-20-31(32)38-26-28-15-6-3-7-16-28)25-35(23-21-30-17-10-11-22-34-30)33(36)18-9-8-14-27-12-4-2-5-13-27/h2-7,10-13,15-17,19-20,22,24H,8-9,14,18,21,23,25-26H2,1H3
• 이성체 SMILES: COC1=C(C=CC(=C1)CN(CCC2=CC=CC=N2)C(=O)CCCCC3=CC=CC=C3)OCC4=CC=CC=C4
• 분자량: 508.65
• Reaxy-Rn: 9815374
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9815374&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Pyridines and derivatives N-acyl amines Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - N-acyl-amine - Pyridine - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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)

HCT-116 (91556 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solubility (25°C) In vitro DMSO: 100 mg/mL (196.59 mM); Ethanol: 100 mg/mL (196.59 mM); Water: Insoluble
• DMSO(mg/mL) 최대 용해도: 100
• DMSO(mM) 최대 용해도: 196.598840066844
• 물(mg/mL) 최대 용해도: ＜1
• 분자량: 508.600 g/mol
• XLogP3: 6.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 14
• Exact Mass: 508.273 Da
• Monoisotopic Mass: 508.273 Da
• Topological Polar Surface Area: 51.700 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 646.000
• 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 ≥98% 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 521310-51-0, the molecular formula is C33H36N2O3, and the molecular weight is 508.65 g/mol. InChIKey JWLZIHLAMJDONF-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.