E5700 - Moligand™, ≥98% , Inhibitor of squalene synthase , CAS No.750597-23-0, Inhibitor of squalene synthase

CAS: 750597-23-0 Cat. No.: E610044 Molecular Weight: 509.64

GRADE & PURITY Moligand™, ≥98%

Synonyms

AKOS040748298 | (3R)-3-[2-[2-benzyl-6-[4-[(3R,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]phenyl]pyridin-3-yl]ethynyl]-1-azabicyclo[2.2.2]octan-3-ol

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

AKOS040748298 | (3R)-3-[2-[2-benzyl-6-[4-[(3R, 4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]phenyl]pyridin-3-yl]ethynyl]-1-azabicyclo[2.2.2]octan-3-ol

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of squalene synthase

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CO[C@@H]1CN(C[C@@H]1O)c1ccc(c(n1)Cc1ccccc1)C#C[C@]1(O)CN2CCC1CC2
• IUPAC Name: (3S)-3-(2-{2-benzyl-6-[(3S,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridin-3-yl}ethynyl)-1-azabicyclo[2.2.2]octan-3-ol
• InChIKey: NDEOTZXSBKCQLS-GSLIJJQTSA-N
• INCHI: 1S/C26H31N3O3/c1-32-24-17-29(16-23(24)30)25-8-7-20(22(27-25)15-19-5-3-2-4-6-19)9-12-26(31)18-28-13-10-21(26)11-14-28/h2-8,21,23-24,30-31H,10-11,13-18H2,1H3/t23-,24+,26-/m0/s1
• Isomeric SMILES: CO[C@@H]1CN(C[C@@H]1O)C2=NC(=C(C=C2)C#C[C@@]3(CN4CCC3CC4)O)CC5=CC=CC=C5
• Molecular Weight: 509.64

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinuclidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinuclidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinuclidines
• Alternative Parents: Dialkylarylamines Aminopyridines and derivatives Ynones Piperidines Imidolactams Benzene and substituted derivatives Tertiary alcohols Pyrrolidines Heteroaromatic compounds Trialkylamines Secondary alcohols Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dialkylarylamine - Quinuclidine - Aminopyridine - Monocyclic benzene moiety - Piperidine - Pyridine - Imidolactam - Benzenoid - Ynone - Heteroaromatic compound - Pyrrolidine - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Azacycle - Ether - Dialkyl ether - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Alcohol - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinuclidines. These are compounds containing a 1-azabicyclo[2.2.2]octane moiety.
• 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

Associated Targets(Human)

FDFT1 Tchem Squalene synthase (1 Activities)

Discover Target: FDFT1

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