Name: KDU691 - Moligand™, 10mM in DMSO , CAS No.1513879-19-0
SKU: K421794
Availability: InStock

KDU691 - Moligand™, 10mM in DMSO , CAS No.1513879-19-0

CAS: 1513879-19-0 Cat. No.: K421794 分子式: C₂₂H₁₈ClN₅O₂ 分子量: 419.86

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KDU691 - Moligand™, 10mM in DMSO CAS No(1513879-19-0) by Aladdin Scientific

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注文可能

GRADE & PURITY Moligand™ ? 10mM in DMSO

Synonyms

Imidazo[1,2-a]pyrazine-6-carboxamide,N-(4-chlorophenyl)-N-methyl-3-[4-[(methylamino)carbonyl]phenyl]-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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™, 10mM in DMSO Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs 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

KDU691 KDU691 is a Plasmodium PI4K -specific inhibitor with IC50 values of 0.18 μM and 0.061 μM against hypnozoite forms and liver schizontsm, respectively.

Targets

PI4K

Specifications

同義語

Imidazo[1,2-a]pyrazine-6-carboxamide,N-(4-chlorophenyl)-N-methyl-3-[4-[(methylamino)carbonyl]phenyl]-

仕様と純度

Moligand™, 10mM in DMSO

生化学的・生理学的メカニズム

KDU691 is a Plasmodium PI4K-specific inhibitor with IC50 values of 0.18 μM and 0.061 μM against hypnozoite forms and liver schizontsm, respectively.

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

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

名前と識別子

パブケム・シド

528765041

カノニカル・スマイル

CNC(=O)C1=CC=C(C=C1)C2=CN=C3N2C=C(N=C3)C(=O)N(C)C4=CC=C(C=C4)Cl

IUPAC Name

N-(4-chlorophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide

InChIKey

TYMFFISSODJRDV-UHFFFAOYSA-N

INCHI

1S/C22H18ClN5O2/c1-24-21(29)15-5-3-14(4-6-15)19-11-26-20-12-25-18(13-28(19)20)22(30)27(2)17-9-7-16(23)8-10-17/h3-13H,1-2H3,(H,24,29)

異性体SMILES

CNC(=O)C1=CC=C(C=C1)C2=CN=C3N2C=C(N=C3)C(=O)N(C)C4=CC=C(C=C4)Cl

分子量

419.86

Reaxy-Rn

26877523

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26877523&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 Benzenoids
  - 分類 Benzene and substituted derivatives
    - Subclass Anilides

Kingdom	Organic compounds
Superclass	Benzenoids
分類	Benzene and substituted derivatives
Subclass	Anilides
Intermediate Tree Nodes	Not available
Direct Parent	Aromatic anilides
Alternative Parents	Phenylimidazoles Benzamides Pyrazinecarboxamides Imidazopyrazines 2-heteroaryl carboxamides Benzoyl derivatives Chlorobenzenes Aryl chlorides N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Tertiary carboxylic acid amides Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds Organic oxides Organochlorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Aromatic anilide - 5-phenylimidazole - 4-phenylimidazole - Benzamide - Benzoic acid or derivatives - Imidazopyrazine - Pyrazinecarboxamide - Pyrazine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - N-substituted imidazole - Pyrazine - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Tertiary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
説明	This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl 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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分子量	419.900 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	419.115 Da
Monoisotopic Mass	419.115 Da
Topological Polar Surface Area	79.600 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	619.000
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