(R)-6-[2-[Ethyl[4-[2-(ethylamino)ethyl]benzyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol - Moligand™, ≥98% , Estrogen receptor alpha degrader, CAS No.722533-56-4, Estrogen receptor alpha degrader

CAS: 722533-56-4 Cat. No.: E610092 Formule: C₃₀H₃₈N₂O₂ Poids moléculaire: 458.6 Numéro CE: 861-036-8 PubChem CID: 23642301

GRADE & PURITY Moligand™, ≥98%

Synonyms

Elacestrant | ER306323 | ER-306323 | ORSERDU | GTPL12339 | F3308-1732 | AKOS032946378 | GLXC-26208 | WHO 10247 | (2R)-2-(2-(Ethyl-((4-(2-(ethylamino)ethyl)phenyl)methyl)amino)-4-methoxy-phenyl)tetralin-6-ol

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Elacestrant (RAD1901) is a selective estrogen receptor degrader (SERD) with IC50s of 48 and 870 nM for ERα and ERβ, respectively. Elacestrant also can inhibit growth of ER+ breast cancer cell lines in vitro and in vivo .

Specifications

Synonymes

Elacestrant | ER306323 | ER-306323 | ORSERDU | GTPL12339 | F3308-1732 | AKOS032946378 | GLXC-26208 | WHO 10247 | (2R)-2-(2-(Ethyl-((4-(2-(ethylamino)ethyl)phenyl)methyl)amino)-4-methoxy-phenyl)tetralin-6-ol

Spécifications et pureté

Moligand™, ≥98%

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

DEGRADER

Mécanisme d'action

Estrogen receptor alpha degrader

Pureté

≥98%

Propriétés du produit

• ALogP: 6.3

Noms et identifiants

• Sourires canoniques: CCNCCC1=CC=C(C=C1)CN(CC)C2=C(C=CC(=C2)OC)C3CCC4=C(C3)C=CC(=C4)O
• IUPAC Name: (6R)-6-[2-[ethyl-[[4-[2-(ethylamino)ethyl]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
• InChIKey: SIFNOOUKXBRGGB-AREMUKBSSA-N
• INCHI: 1S/C30H38N2O2/c1-4-31-17-16-22-6-8-23(9-7-22)21-32(5-2)30-20-28(34-3)14-15-29(30)26-11-10-25-19-27(33)13-12-24(25)18-26/h6-9,12-15,19-20,26,31,33H,4-5,10-11,16-18,21H2,1-3H3/t26-/m1/s1
• Isomères SMILES: CCNCCC1=CC=C(C=C1)CN(CC)C2=C(C=CC(=C2)OC)[C@@H]3CCC4=C(C3)C=CC(=C4)O
• CAS alternatif: 722533-56-4
• PubChem CID: 23642301
• Termes d'entrée MeSH: (6R)-6-(2-(ethyl((4-(2-(ethylamino)ethyl)phenyl)methyl)amino)-4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;elacestrant
• Poids moléculaire: 458.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes
      • Subclass Phenylnaphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Phenylnaphthalenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylnaphthalenes
• Alternative Parents: Phenylbenzamines Tetralins Phenethylamines Methoxyanilines Aminophenyl ethers Phenoxy compounds Methoxybenzenes Dialkylarylamines Benzylamines Anisoles Aralkylamines Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Dialkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Phenylnaphthalene - Phenylbenzamine - Tetralin - Phenethylamine - Aminophenyl ether - Methoxyaniline - Phenol ether - Phenylmethylamine - Phenoxy compound - Benzylamine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Methoxybenzene - Anisole - Aniline or substituted anilines - Aralkylamine - Alkyl aryl ether - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Tertiary amine - Secondary amine - Secondary aliphatic amine - Ether - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylnaphthalenes. These are compounds containing a phenylnaphthalene skeleton, which consists of a naphthalene bound to a phenyl group.
• 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)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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MCF7 (126967 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: light & Moisture sensitive
• Poids moléculaire: 458.600 g/mol
• XLogP3: 6.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 458.293 Da
• Monoisotopic Mass: 458.293 Da
• Topological Polar Surface Area: 44.700 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 578.000
• 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