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 Formule: C₂₀H₂₅N₅O₃ Poids moléculaire: 383.44

GRADE & PURITY Moligand™, ≥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

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

(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

Spécifications et pureté

Moligand™, ≥98%(HPLC)

Mécanismes biochimiques et physiologiques

EPZ015666 (GSK3235025) is a protein arginine methyltransferase PRMT5 inhibitor with an IC50 value of of 22 nM in biochemical assays and no inhibition up to the maximum tested concentration of 50 μM against a panel of 20 other protein methyltransferases. I

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

Mécanisme d'action

Inhibitor of protein arginine methyltransferase 5

Pureté

≥98%(HPLC)

Noms et identifiants

• Pubchem Sid: 504772568
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772568
• Sourires canoniques: 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
• Isomères SMILES: C1CN(CC2=CC=CC=C21)C[C@H](CNC(=O)C3=CC(=NC=N3)NC4COC4)O
• Poids moléculaire: 383.44
• Reaxy-Rn: 36440089
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36440089&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Tetrahydroisoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: This compound belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives.
• External Descriptors: Not available

Data sources

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

Cibles associées (humaines)

PRMT5 Tchem Protein arginine N-methyltransferase 5 (3 Activities)

Discover Target: PRMT5

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

A 172 (535 Activities)

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MDA-MB-468 (9477 Activities)

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A549 (127892 Activities)

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Jurkat (10389 Activities)

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HeLa (62764 Activities)

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MDA-MB-231 (73002 Activities)

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MV4-11 (7307 Activities)

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SUD4 (402 Activities)

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HCC38 (164 Activities)

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PRMT5 Tchem Protein arginine N-methyltransferase 5 (1273 Activities)

Discover Target: PRMT5

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KARPAS-422 (454 Activities)

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PRMT5 Tchem PRMT5/MEP50 complex (963 Activities)

Discover Target: PRMT5

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Pfeiffer (261 Activities)

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Maver1 (85 Activities)

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Z-138 (387 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Mus musculus (284745 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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SARS-CoV-2 (38078 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 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 Ų
• 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