Name: EPZ015666 - Moligand™, 10mM in DMSO , Inhibitor of protein arginine methyltransferase 5, CAS No.1616391-65-1, Inhibitor of protein arginine methyltransferase 5
SKU: E421950
Availability: InStock

EPZ015666 - Moligand™, 10mM in DMSO , Inhibitor of protein arginine methyltransferase 5, CAS No.1616391-65-1, Inhibitor of protein arginine methyltransferase 5

CAS: 1616391-65-1 Cat. No.: E421950 分子式: C₂₀H₂₅N₅O₃ 分子量: 383.44

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EPZ015666 - Moligand™, 10mM in DMSO CAS No(1616391-65-1) by Aladdin Scientific

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注文可能

GRADE & PURITY Moligand™ ? 10mM in DMSO

Synonyms

(S)-N-(3-(3，4-Dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide，GSK3235025，YQ36286

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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よくある質問と記事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.

Specifications

同義語

(S)-N-(3-(3，4-Dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide，GSK3235025，YQ36286

仕様と純度

Moligand™, 10mM in DMSO

生化学的・生理学的メカニズム

Selective, potent (IC 50 = 22nM, K i =5 nM) inhibitor of arginine methyltransferase 5 (PRMT5). Displays selectivity for PRMT5 over a panel of 20 other protein methyltransferases.

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

作用メカニズム

Inhibitor of protein arginine methyltransferase 5

名前と識別子

パブケム・シド

528764363

カノニカル・スマイル

C1CN(CC2=CC=CC=C21)CC(CNC(=O)C3=CC(=NC=N3)NC4COC4)O

IUPAC Name

N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide

InChIKey

ZKXZLIFRWWKZRY-KRWDZBQOSA-N

INCHI

1S/C20H25N5O3/c26-17(10-25-6-5-14-3-1-2-4-15(14)9-25)8-21-20(27)18-7-19(23-13-22-18)24-16-11-28-12-16/h1-4,7,13,16-17,26H,5-6,8-12H2,(H,21,27)(H,22,23,24)/t17-/m0/s1

異性体SMILES

C1CN(CC2=CC=CC=C21)C[C@H](CNC(=O)C3=CC(=NC=N3)NC4COC4)O

分子量

383.44

Reaxy-Rn

36440089

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36440089&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 Tetrahydroisoquinolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
分類	Tetrahydroisoquinolines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Tetrahydroisoquinolines
Alternative Parents	Pyrimidinecarboxamides 2-heteroaryl carboxamides Aminopyrimidines and derivatives Aralkylamines Benzenoids Imidolactams Heteroaromatic compounds 1,2-aminoalcohols Trialkylamines Amino acids and derivatives Secondary carboxylic acid amides Secondary alcohols Oxetanes Azacyclic compounds Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Tetrahydroisoquinoline - Pyrimidine-6-carboxylic acid or derivatives - Pyrimidinecarboxamide - 2-heteroaryl carboxamide - Aminopyrimidine - Aralkylamine - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Oxetane - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - Amino acid or derivatives - 1,2-aminoalcohol - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
説明	This compound belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives.
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	383.400 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	383.196 Da
Monoisotopic Mass	383.196 Da
Topological Polar Surface Area	99.600 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	518.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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