EPZ015666 - Moligand™, ≥98%(HPLC) , Inhibitor of protein arginine methyltransferase 5, CAS No.1616391-65-1, Inhibitor of protein arginine methyltransferase 5

CAS: 1616391-65-1 Cat. No.: E167694 Fórmula: C20H25N5O3 Peso molecular: 383.44
Disponível para encomenda
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%(HPLC)
Synonyms
(S)-N-(3-(3,4-Dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide,GSK3235025,YQ36286 | N-((2S)-3-(3,4-二氢-2(1H)-异喹啉基)-2-羟基丙基)-6-(3-氧杂环丁基氨基)-4-嘧啶甲酰胺 | (S)-N-(3-(3,4-二氢异喹啉-2 (1H)-基)-2-羟基丙基)-6-(氧杂坦-3-基氨基)嘧啶-4-甲酰胺
Storage
Armazenar a -20°C
Shipped In
Arca de gelo + almofadas de gelo
★
Size
Alemanha (EU)
USA*
Price
Qty
5mg
E167694-5mg
—
3 Em stock
60,65€
25mg
E167694-25mg
—
2 Em stock
216,85€
50mg
E167694-50mg
—
1 Em stock
303,62€
100mg
E167694-100mg
—
1 Em stock
433,78€
Enter a quantity for the sizes you want to add.
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Why this grade

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

🌡

Storage & shipping

Armazenar a -20°C Ships Arca de gelo + almofadas de gelo Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

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

Specifications

Sinónimos
(S)-N-(3-(3,4-Dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide,GSK3235025,YQ36286 | N-((2S)-3-(3,4-二氢-2(1H)-异喹啉基)-2-羟基丙基)-6-(3-氧杂环丁基氨基)-4-嘧啶甲酰胺 | (S)-N-(3-(3,4-二氢异喹啉-2 (1H)-基)-2-羟基丙基)-6-(氧杂坦-3-基氨基)嘧啶-4-甲酰胺
Especificações e pureza
Moligand™, ≥98%(HPLC)
Mecanismos bioquímicos e fisiológicos
Inibidor seletivo e potente (IC 50 = 22nM, K i =5 nM) da arginina metiltransferase 5 (PRMT5). Apresenta seletividade para a PRMT5 em relação a um painel de 20 outras proteínas metiltransferases.
Condições de armazenamento de armazenamento
Armazenar a -20°C
Enviado em
Arca de gelo + almofadas de gelo
Grau
Moligand™
Tipo de ação
INHIBITOR
Mecanismo de ação
Inhibitor of protein arginine methyltransferase 5
Pureza
≥98%(HPLC)
Nomes e identificadores
Pubchem Sid504772568
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504772568
Sorrisos canónicosC1CN(CC2=CC=CC=C21)CC(CNC(=O)C3=CC(=NC=N3)NC4COC4)O
IUPAC NameN-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
InChIKeyZKXZLIFRWWKZRY-KRWDZBQOSA-N
INCHI1S/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
SMILES isoméricas C1CN(CC2=CC=CC=C21)C[C@H](CNC(=O)C3=CC(=NC=N3)NC4COC4)O
Peso molecular 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

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClasseTetrahydroisoquinolines
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentTetrahydroisoquinolines
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 FrameworkAromatic 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
DescriçãoThis compound belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives.
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
PRMT5 Tchem Protein arginine N-methyltransferase 5 (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
A 172 (535 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-468 (9477 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Jurkat (10389 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HeLa (62764 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-231 (73002 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MV4-11 (7307 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SUD4 (402 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCC38 (164 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PRMT5 Tchem Protein arginine N-methyltransferase 5 (1273 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KARPAS-422 (454 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PRMT5 Tchem PRMT5/MEP50 complex (963 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pfeiffer (261 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Maver1 (85 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Z-138 (387 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alvos associados (não humanos)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SARS-CoV-2 (38078 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot NumberCertificate TypeDataItem
J2226404Certificate of AnalysisAug 22, 2022 E167694
J2226410Certificate of AnalysisAug 22, 2022 E167694
J2226419Certificate of AnalysisAug 22, 2022 E167694
J2226526Certificate of AnalysisAug 22, 2022 E167694
Propriedades químicas e físicas
Peso molecular383.400 g/mol
XLogP30.800
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass383.196 Da
Monoisotopic Mass383.196 Da
Topological Polar Surface Area99.600 Ų
Heavy Atom Count28
Formal Charge0
Complexity518.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluções
Revisões

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