Name: BX517 - Moligand™,≥98% , CAS No.850717-64-5
SKU: B413488
Availability: InStock

BX517 - Moligand™,≥98% , CAS No.850717-64-5

CAS: 850717-64-5 Cat. No.: B413488 分子式: C₁₅H₁₄N₄O₂ 分子量: 282.30

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BX517 - Moligand™,≥98% CAS No(850717-64-5) by Aladdin Scientific

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注文可能

GRADE & PURITY Moligand™ ? ≥98%

Synonyms

SB70061 | PDK1 inhibitor 2 | Q27289467 | MS-24008 | BX517(PDK1 inhibitor2) | [(3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)ethylidene]-2,3-dihydro-1H-indol-5-yl]urea | AKOS032945106 | F85475 | PDK1 inhibitor2 | STK450411 | Urea, N-(2,3-dihydro-2-oxo-3-(1-(1H-pyrrol-2-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要 Specifications 名前と識別子 Documentation Advanced Data Taxonomic Classification 3 D構造関連ターゲット（人間）関連ターゲット（非人間）作用メカニズム証明書（CoA、COO、BSE/TSEと分析図）化学的性質と物理的性質ソリューション計算機レビュー

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Why this grade

Moligand™,≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

概要

Information

BX517 BX517 is a potent and selective inhibitor of PDK1 that binds to the ATP binding pocket of the protein (IC50 = 6 nM).

Targets

cAKT2 ; PDX1 5 nM; 6 nM

In vitro

BX-517 blocks activation of Akt in tumor cells.

In vivo

BX517 has poor pharmaceutical properties including short half-life (0.4 h in rat), low metabolic stability, and poor solubility.

Specifications

同義語

仕様と純度

Moligand™,≥98%

生化学的・生理学的メカニズム

BX517 is a potent and selective inhibitor of PDK1 that binds to the ATP binding pocket of the protein (IC50 = 6 nM).

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。

等級

Moligand™

アクションタイプ

INHIBITOR

純度

≥98%

名前と識別子

カノニカル・スマイル	CC(=C1C2=C(C=CC(=C2)NC(=O)N)NC1=O)C3=CC=CN3
IUPAC Name	[(3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)ethylidene]-1H-indol-5-yl]urea
InChIKey	DFURSNCTQGJRRX-JYRVWZFOSA-N
INCHI	1S/C15H14N4O2/c1-8(11-3-2-6-17-11)13-10-7-9(18-15(16)21)4-5-12(10)19-14(13)20/h2-7,17H,1H3,(H,19,20)(H3,16,18,21)/b13-8-
異性体SMILES	C/C(=C/1\C2=C(C=CC(=C2)NC(=O)N)NC1=O)/C3=CC=CN3
分子量	282.30
Reaxy-Rn	11692363
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11692363&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
分類	Indoles and derivatives
Subclass	Indolines
Intermediate Tree Nodes	Not available
Direct Parent	Indolines
Alternative Parents	Substituted pyrroles Benzenoids Heteroaromatic compounds Ureas Secondary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Dihydroindole - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Carboxamide group - Lactam - Secondary carboxylic acid amide - Urea - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
説明	This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
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

Need help choosing the grade?

Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.

View Moligand™ grade guide →

Bulk & Custom Packaging Need larger quantities or custom specifications? Contact our team for a tailored quote.

溶解度	Solubility (25°C) In vitro DMSO: 56 mg/mL (198.37 mM); Water: Insoluble; Ethanol: Insoluble;
分子量	282.300 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	282.112 Da
Monoisotopic Mass	282.112 Da
Topological Polar Surface Area	100.000 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	488.000
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