INH14 - ≥98% , CAS No.200134-22-1

CAS: 200134-22-1 Cat. No.: I413593 분자식: C₁₅H₁₆N₂O 분자량: 240.3 EC 번호: 118-881-6

GRADE & PURITY ≥98%

Synonyms

1-(4-Ethylphenyl)-3-phenylurea

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Information

INH14 is an inhibitor of TLR2-mediatedNF-kBactivation with IC50 values of 8.975 μM and 3.598 μM for IKKα and IKKβ, respectively.

Targets

NF-κB ; IKKβ ; IKKα ; 3.598 μM; 8.975 μM

Specifications

동의어

1-(4-Ethylphenyl)-3-phenylurea

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

INH14 is an inhibitor of TLR2-mediated NF-kB activation with IC50 values of 8.975 μM and 3.598 μM for IKKα and IKKβ, respectively.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

순수함

≥98%

제품 특성

• ALogP: 3.465
• hba_count: 1
• HBD 수: 2
• 회전 가능한 결합: 3

이름과 식별자

• Pubchem Sid: 504758355
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758355
• 정식 스마일: CCC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2
• IUPAC Name: 1-(4-ethylphenyl)-3-phenylurea
• InChIKey: CPCZNJSFVOOZOG-UHFFFAOYSA-N
• INCHI: 1S/C15H16N2O/c1-2-12-8-10-14(11-9-12)17-15(18)16-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H2,16,17,18)
• 이성체 SMILES: CCC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2
• 분자량: 240.3
• Reaxy-Rn: 11436621
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11436621&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass N-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylureas
• Alternative Parents: Ureas Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-phenylurea - Urea - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
• 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: 48 mg/mL (199.75 mM); Ethanol: 18 mg/mL (74.9 mM); Water: Insoluble
• DMSO(mg/mL) 최대 용해도: 48
• DMSO(mM) 최대 용해도: 199.750312109863
• 물(mg/mL) 최대 용해도: ＜1
• 분자량: 240.300 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 240.126 Da
• Monoisotopic Mass: 240.126 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 253.000
• 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 200134-22-1, the molecular formula is C15H16N2O, and the molecular weight is 240.3 g/mol. InChIKey CPCZNJSFVOOZOG-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.