norendoxifen - Moligand™ , Inhibitor of CYP19A1;Antagonist of Estrogen receptor-α;Agonist of Estrogen receptor-β, CAS No.N612359, Inhibitor of CYP19A1;Antagonist of Estrogen receptor-α;Agonist of Estrogen receptor-β

CAS: N612359 Cat. No.: N612359 PubChem CID: 68037237

GRADE & PURITY Moligand™

Synonyms

4-(1-(4-(2-AMINOETHOXY)PHENYL)-2-PHENYL-1-BUTEN-1-YL)PHENOL | NSC778418 | NSC-778418 | BDBM50435004 | 51GJD354B5 | Norendoxifen | GTPL10204 | J-004605 | (E/Z)-N,N-Didesmethyl-4-hydroxy Tamoxifen | (Z)-Norendoxifen | (Z)-4-(1-(4-(2-Aminoethoxy)phenyl)-2-ph

Storage

Room temperature

Specifications

Synonyms

4-(1-(4-(2-AMINOETHOXY)PHENYL)-2-PHENYL-1-BUTEN-1-YL)PHENOL | NSC778418 | NSC-778418 | BDBM50435004 | 51GJD354B5 | Norendoxifen | GTPL10204 | J-004605 | (E/Z)-N, N-Didesmethyl-4-hydroxy Tamoxifen | (Z)-Norendoxifen | (Z)-4-(1-(4-(2-Aminoethoxy)phenyl)-2-ph

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

AGONIST, ANTAGONIST, INHIBITOR

Mechanism of action

Inhibitor of CYP19A1;Antagonist of Estrogen receptor-α;Agonist of Estrogen receptor-β

Names and Identifiers

• Canonical Smiles: NCCOc1ccc(cc1)/C(=C(\c1ccccc1)/CC)/c1ccc(cc1)O
• IUPAC Name: 4-[(~{Z})-1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]phenol
• InChIKey: YCQBLTPGQSYLHD-VHXPQNKSSA-N
• INCHI: 1S/C24H25NO2/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15,26H,2,16-17,25H2,1H3/b24-23-
• Isomeric SMILES: CC/C(=C(\C1=CC=C(C=C1)O)/C2=CC=C(C=C2)OCCN)/C3=CC=CC=C3
• PubChem CID: 68037237

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Diphenylmethanes Phenylpropanes Phenoxy compounds Phenol ethers Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Diphenylmethane - Phenylpropane - Phenoxy compound - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Ether - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Primary amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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)

ESR1 Tclin Estrogen receptor (3 Activities)

Discover Target: ESR1

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

ESR2 Tclin Estrogen receptor beta (3 Activities)

Discover Target: ESR2

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

CYP19A1 Tclin Aromatase (3 Activities)

Discover Target: CYP19A1

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

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

CYP19A1 Tclin Cytochrome P450 19A1 (6099 Activities)

Discover Target: CYP19A1

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

ESR2 Tclin Estrogen receptor beta (9272 Activities)

Discover Target: ESR2

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

Mechanisms of Action