CDC25B-IN-2 - ≥97% , CAS No.134271-74-2

CAS: 134271-74-2 Cat. No.: C648777 분자식: C₁₅H₁₂N₂O₃ 분자량: 268.27 PubChem CID: 11425639

GRADE & PURITY ≥97%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

CDC25B-IN-2 is a potent cdc25B inhibitor.

In Vitro

CDC25B-IN-2 (compound 27; 20 μg/mL) has cdc25B enzyme inhibitory activities 16.11% in vitro. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

사양 및 순도

≥97%

생화학 및 생리적 메커니즘

CDC25B-IN-2 is a potent cdc25B inhibitor.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

순수함

≥97%

이름과 식별자

• 정식 스마일: C1=CC=C(C(=C1)C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])N
• IUPAC Name: (E)-1-(2-aminophenyl)-3-(3-nitrophenyl)prop-2-en-1-one
• InChIKey: LRMPAVQDWGDIBD-CMDGGOBGSA-N
• INCHI: 1S/C15H12N2O3/c16-14-7-2-1-6-13(14)15(18)9-8-11-4-3-5-12(10-11)17(19)20/h1-10H,16H2/b9-8+
• 이성체 SMILES: C1=CC=C(C(=C1)C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])N
• PubChem CID: 11425639
• 분자량: 268.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 분류 Linear 1,3-diarylpropanoids
      • Subclass Chalcones and dihydrochalcones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: Linear 1,3-diarylpropanoids
• Subclass: Chalcones and dihydrochalcones
• Intermediate Tree Nodes: Not available
• Direct Parent: Retrochalcones
• Alternative Parents: Cinnamic acids and derivatives Nitrobenzenes Nitroaromatic compounds Benzoyl derivatives Aryl ketones Aniline and substituted anilines Styrenes Acryloyl compounds Enones Vinylogous amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Retrochalcone - Cinnamic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Aryl ketone - Styrene - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Enone - Vinylogous amide - Alpha,beta-unsaturated ketone - Organic nitro compound - Ketone - C-nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic salt - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic zwitterion - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
• 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 : 250 mg/mL (931.90 mM; Need ultrasonic)
• 분자량: 268.270 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 268.085 Da
• Monoisotopic Mass: 268.085 Da
• Topological Polar Surface Area: 88.900 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 389.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥97% 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 134271-74-2, the molecular formula is C15H12N2O3, and the molecular weight is 268.27 g/mol. InChIKey LRMPAVQDWGDIBD-CMDGGOBGSA-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.