LEM-14 - ≥98% , CAS No.1814881-70-3

CAS: 1814881-70-3 Cat. No.: L413112 Formula: C₂₅H₂₆N₄O₄S Peso molecolare: 478.6

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

LEM-14 is a potent NSD2 inhibitor with an IC50 of 132 µM. LEM-14 has the potential for the research of multiple myeloma

Specifications

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

LEM-14 is a specific inhibitor of Nuclear Receptor Binding SET Domain Protein 2 (NSD2).

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 528765280
• Sorrisi canonici: C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CN4CCN(CC4)C(=O)C5CC6=CC=CC=C6C(=O)O5
• IUPAC Name: 2-[[4-[(3R)-1-oxo-3,4-dihydroisochromene-3-carbonyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
• InChIKey: ZJOXWRFJOUWUKX-GOSISDBHSA-N
• INCHI: 1S/C25H26N4O4S/c30-22-21-17-7-3-4-8-19(17)34-23(21)27-20(26-22)14-28-9-11-29(12-10-28)24(31)18-13-15-5-1-2-6-16(15)25(32)33-18/h1-2,5-6,18H,3-4,7-14H2,(H,26,27,30)/t18-/m1/s1
• Isomeri SMILES: C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CN4CCN(CC4)C(=O)[C@H]5CC6=CC=CC=C6C(=O)O5
• Peso molecolare: 478.6
• Reaxy-Rn: 33841480
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33841480&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzopyrans
      • Subclass 2-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzopyrans
• Subclass: 2-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-benzopyrans
• Alternative Parents: Thienopyrimidines Aralkylamines Pyrimidones N-alkylpiperazines Benzenoids Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Trialkylamines Carboxylic acid esters Lactams Lactones Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-benzopyran - Thienopyrimidine - Pyrimidone - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Piperazine - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Carboxamide group - Tertiary aliphatic amine - Carboxylic acid ester - Tertiary amine - Lactam - Lactone - Amino acid or derivatives - Oxacycle - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 2-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 2-position.
• 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 478.600 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 478.167 Da
• Monoisotopic Mass: 478.167 Da
• Topological Polar Surface Area: 120.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 873.000
• 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