(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 분자식: C₃₀H₃₈N₂O₂ 분자량: 458.6 EC 번호: 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

개요

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

동의어

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

사양 및 순도

Moligand™, ≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

DEGRADER

작동 메커니즘

Estrogen receptor alpha degrader

순수함

≥98%

제품 특성

• ALogP: 6.3

이름과 식별자

• 정식 스마일: 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
• 이성체 SMILES: CCNCCC1=CC=C(C=C1)CN(CC)C2=C(C=CC(=C2)OC)[C@@H]3CCC4=C(C3)C=CC(=C4)O
• 대체 CAS: 722533-56-4
• PubChem CID: 23642301
• MeSH 용어: (6R)-6-(2-(ethyl((4-(2-(ethylamino)ethyl)phenyl)methyl)amino)-4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;elacestrant
• 분자량: 458.6

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(인간)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MCF7 (126967 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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작용 메커니즘

화학 및 물리적 특성

• 감도: light & Moisture sensitive
• 분자량: 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