Name: BI-1347 - ≥98% , CAS No.2163056-91-3
SKU: B412682
Availability: InStock

BI-1347 - ≥98% , CAS No.2163056-91-3

CAS: 2163056-91-3 Cat. No.: B412682 分子式: C₂₂H₂₀N₄O 分子量: 356.42

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BI-1347 - ≥98% CAS No(2163056-91-3) by Aladdin Scientific

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注文可能

GRADE & PURITY ≥98%

Synonyms

1H-Pyrazole-1-acetamide,4-[4-(4-isoquinolinyl)phenyl]-N,N-dimethyl-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要 Specifications 製品の性質名前と識別子 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

≥98% 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

BI-1347 BI-1347 is small molecule inhibitor of Cyclin-dependent kinase 8(CDK8) with IC50 of 1.1 nM.

Targets

CDK8 (Cell-free assay) 1.1 nM

Specifications

同義語

1H-Pyrazole-1-acetamide,4-[4-(4-isoquinolinyl)phenyl]-N,N-dimethyl-

仕様と純度

≥98%

生化学的・生理学的メカニズム

BI-1347 is small molecule inhibitor of Cyclin-dependent kinase 8(CDK8) with IC50 of 1.1 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。

純度

≥98%

製品の性質

ALogP	2.54
hba_count	3
回転可能な結合	4

名前と識別子

パブケム・シド	504773108
パブケム・シド・ウル	https://pubchem.ncbi.nlm.nih.gov/substance/504773108
カノニカル・スマイル	CN(C)C(=O)CN1C=C(C=N1)C2=CC=C(C=C2)C3=CN=CC4=CC=CC=C43
IUPAC Name	2-[4-(4-isoquinolin-4-ylphenyl)pyrazol-1-yl]-N,N-dimethylacetamide
InChIKey	WULUGQONDYDNKY-UHFFFAOYSA-N
INCHI	1S/C22H20N4O/c1-25(2)22(27)15-26-14-19(12-24-26)16-7-9-17(10-8-16)21-13-23-11-18-5-3-4-6-20(18)21/h3-14H,15H2,1-2H3
異性体SMILES	CN(C)C(=O)CN1C=C(C=N1)C2=CC=C(C=C2)C3=CN=CC4=CC=CC=C43
分子量	356.42
Reaxy-Rn	32145760
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32145760&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 Pyridines and derivatives
    - Subclass Phenylpyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
分類	Pyridines and derivatives
Subclass	Phenylpyridines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyridines
Alternative Parents	Phenylpyrazoles Isoquinolines and derivatives Benzene and substituted derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	3-phenylpyridine - Phenylpyrazole - Isoquinoline - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrazole - Azole - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
説明	This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
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
K2217341	Certificate of Analysis	Aug 22, 2022	B412682
K2217345	Certificate of Analysis	Aug 22, 2022	B412682
K2217350	Certificate of Analysis	Aug 22, 2022	B412682
L2419114	Certificate of Analysis	Aug 22, 2022	B412682

溶解度	Solubility (25°C) In vitro DMSO: 71 mg/mL (199.2 mM); Ethanol: 3 mg/mL (8.41 mM); Water: Insoluble;
DMSO（mg / mL）最大溶解度	71
DMSO（mM）最大溶解度	199.203187250996
水（mg / mL）最大溶解度	＜1
分子量	356.400 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	356.164 Da
Monoisotopic Mass	356.164 Da
Topological Polar Surface Area	51.000 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	503.000
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