Elacestrant (RAD1901) Dihydrochloride - ≥99% , CAS No.1349723-93-8

CAS: 1349723-93-8 Cat. No.: E414433 Fórmula: C₃₀H₄₀Cl₂N₂O₂ Peso molecular: 531.56 Número CE: 117-593-8 PubChem CID: 67479909

GRADE & PURITY ≥99%

Synonyms

Elacestrant (dihydrochloride) | EX-A5070A | Elacestrant 2HCl | (6R)-6-{2-[ethyl({4-[2-(ethylamino)ethyl]phenyl}methyl)amino]-4-methoxyphenyl}-5,6,7,8-tetrahydronaphthalen-2-ol hydrochloride (1:2) | (6r)-6-(2-(N-(4-(2-(ethylamino)ethyl)benzyl)-N-ethylamino

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

Elacestrant (RAD1901) Dihydrochloride Elacestrant (RAD1901) Dihydrochloride is an orally available selective estrogen receptor degrader (SERD) with IC50 of 48 nM and 870 nM for ERα and ERβ, respectively.

Specifications

Sinónimos

Elacestrant (dihydrochloride) | EX-A5070A | Elacestrant 2HCl | (6R)-6-{2-[ethyl({4-[2-(ethylamino)ethyl]phenyl}methyl)amino]-4-methoxyphenyl}-5,6,7,8-tetrahydronaphthalen-2-ol hydrochloride (1:2) | (6r)-6-(2-(N-(4-(2-(ethylamino)ethyl)benzyl)-N-ethylamino

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

Elacestrant (RAD1901) Dihydrochloride is an orally available selective estrogen receptor degrader (SERD) with IC50 of 48 nM and 870 nM for ERα and ERβ, respectively.

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Pureza

≥99%

Nomes e identificadores

• Pubchem Sid: 528764384
• Sorrisos canónicos: CCNCCC1=CC=C(C=C1)CN(CC)C2=C(C=CC(=C2)OC)C3CCC4=C(C3)C=CC(=C4)O.Cl.Cl
• IUPAC Name: (6R)-6-[2-[ethyl-[[4-[2-(ethylamino)ethyl]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol;dihydrochloride
• InChIKey: XGFHYCAZOCBCRQ-FBHGDYMESA-N
• INCHI: 1S/C30H38N2O2.2ClH/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;2*1H/t26-;;/m1../s1
• SMILES isoméricas: CCNCCC1=CC=C(C=C1)CN(CC)C2=C(C=CC(=C2)OC)[C@@H]3CCC4=C(C3)C=CC(=C4)O.Cl.Cl
• PubChem CID: 67479909
• Peso molecular: 531.56

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: Stilbenes Phenylbenzamines Tetralins Aminophenyl ethers Phenoxy compounds Methoxybenzenes Dialkylarylamines Benzylamines Anisoles Aniline and substituted anilines Aralkylamines Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Dialkylamines Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Phenylnaphthalene - Phenylbenzamine - Stilbene - Tetralin - Aminophenyl ether - Phenoxy compound - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Phenylmethylamine - Phenol ether - Benzylamine - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Alkyl aryl ether - Monocyclic benzene moiety - Tertiary amine - Secondary amine - Ether - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homopolycyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Solubility (25°C) In vitro DMSO: 100 mg/mL (188.12 mM); Water: 25 mg/mL (47.03 mM); Ethanol: 6 mg/mL (11.28 mM)
• Sensibilidade: Light sensitive；Moisture sensitive
• Peso molecular: 531.600 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 530.247 Da
• Monoisotopic Mass: 530.247 Da
• Topological Polar Surface Area: 44.700 Ų
• Heavy Atom Count: 36
• 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: 3

XLogP3