Novel inhibitor of tubulin polymerization; cytotoxic and inhibits tumor cell proliferationin vitro(IC50= 74 nM). Prevents growth of tumor models in mice following oral administrationin vivo.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

純度

≥97%

名前と識別子

パブケム・シド	504762793
パブケム・シド・ウル	https://pubchem.ncbi.nlm.nih.gov/substance/504762793
カノニカル・スマイル	COC1=CC2=C(C=C1)NC(=C2)C(=O)C3=CC=CC=C3
IUPAC Name	(5-methoxy-1H-indol-2-yl)-phenylmethanone
InChIKey	ICMIJSRDISNKOC-UHFFFAOYSA-N
INCHI	1S/C16H13NO2/c1-19-13-7-8-14-12(9-13)10-15(17-14)16(18)11-5-3-2-4-6-11/h2-10,17H,1H3
異性体SMILES	COC1=CC2=C(C=C1)NC(=C2)C(=O)C3=CC=CC=C3
分子量	251.28
Reaxy-Rn	4464016
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4464016&ln=

Documentation

📋 Safety Data Sheet (SDS)

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✅ Certificate of Analysis (COA)

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📊 Datasheet

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🔬 Specification Sheet

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - 分類 Indoles and derivatives
    - Subclass Benzoylindoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
分類	Indoles and derivatives
Subclass	Benzoylindoles
Intermediate Tree Nodes	Not available
Direct Parent	Benzoylindoles
Alternative Parents	Aryl-phenylketones Indolecarboxylic acids and derivatives Indoles Benzoyl derivatives Anisoles Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzoylindole - Aryl-phenylketone - Indolecarboxylic acid derivative - Indole - Anisole - Benzoyl - Aryl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Ketone - Ether - Azacycle - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
説明	This compound belongs to the class of organic compounds known as benzoylindoles. These are organic compounds containing an indole attached to a benzoyl moiety through the acyl group.
External Descriptors	Not available
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

3 D構造

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レビュー

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Lot Number	Certificate Type	日付	商品
K2122163	Certificate of Analysis	Sep 18, 2023	D127802
K2122169	Certificate of Analysis	Sep 18, 2023	D127802

溶解度	Solvent:ethanol, Max Conc. mg/mL: 5.03, Max Conc. mM: 20; Solvent:DMSO, Max Conc. mg/mL: 25.13, Max Conc. mM: 100
分子量	251.280 g/mol
XLogP3	3.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	251.095 Da
Monoisotopic Mass	251.095 Da
Topological Polar Surface Area	42.100 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	325.000
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

D-64131 - ≥97% , CAS No.74588-78-6

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Specifications