GW7604 - ≥98% , CAS No.195611-82-6

CAS: 195611-82-6 Cat. No.: G648944 Summenformel: C₂₅H₂₂O₃ Molekulargewicht: 370.45 PubChem CID: 9799518

GRADE & PURITY ≥98%

Synonyms

BDBM50084948 | (2e)-3-[4-[(1e)-1-(4-hydroxyphenyl)-2-phenyl-1-butenyl]phenyl]-2-propenoic acid | SCHEMBL5070366 | 3-{4-[1-(4-Hydroxy-phenyl)-2-phenyl-but-1-enyl]-phenyl}-acrylic acid | (E)-3-(4-((E)-1-(4-Hydroxyphenyl)-2-phenylbut-1-en-1-yl)phenyl)acrylic

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

GW7604 is an antiestrogen. GW7604 is the metabolite of GW5638, which is a high affinity estrogen receptor (ER) antagonist.

In Vitro

GW7604 is the presumed metabolite of GW5638 in breast (MCF-7) and endometrial (ECC-1) cell lines. GW7604 (0.1 nM-1 μM; 24 hours) inhibits both Estradiol (1 nM) and 4-hydroxytamoxifen (4-OHT; 10 and 100 nM) induction of TGF-alpha in a concentration related manner (1-1000 nM) in MDA-MB-231 cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Western Blot AnalysisCell Line: MDA-MB-231 cells Concentration: 0.1 nM, 1 nM, 10 nM, 100 nM, 1 μM Incubation Time: 24 hours Result: Blocked the effect of estradiol (E2; 1 n M) in a concentration-related manner.

Form:Solid

Specifications

Synonyme

BDBM50084948 | (2e)-3-[4-[(1e)-1-(4-hydroxyphenyl)-2-phenyl-1-butenyl]phenyl]-2-propenoic acid | SCHEMBL5070366 | 3-{4-[1-(4-Hydroxy-phenyl)-2-phenyl-but-1-enyl]-phenyl}-acrylic acid | (E)-3-(4-((E)-1-(4-Hydroxyphenyl)-2-phenylbut-1-en-1-yl)phenyl)acrylic

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

GW7604 is an antiestrogen. GW7604 is the metabolite of GW5638, which is a high affinity estrogen receptor (ER) antagonist.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

ANTAGONIST

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: CCC(=C(C1=CC=C(C=C1)C=CC(=O)O)C2=CC=C(C=C2)O)C3=CC=CC=C3
• IUPAC Name: (E)-3-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
• InChIKey: SCVIEONTACSLJA-YGCRUXFTSA-N
• INCHI: 1S/C25H22O3/c1-2-23(19-6-4-3-5-7-19)25(21-13-15-22(26)16-14-21)20-11-8-18(9-12-20)10-17-24(27)28/h3-17,26H,2H2,1H3,(H,27,28)/b17-10+,25-23+
• Isomere SMILES: CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC=C(C=C2)O)/C3=CC=CC=C3
• PubChem CID: 9799518
• Molekulargewicht: 370.45

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Diphenylmethanes Cinnamic acids Phenylpropanes Styrenes 1-hydroxy-2-unsubstituted benzenoids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Diphenylmethane - Cinnamic acid - Cinnamic acid or derivatives - Phenylpropane - Styrene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Beschreibung: 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

Zugehörige Ziele (menschlich)

ESR1 Tclin Estrogen receptor (12 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)

PGR Tclin Progesterone receptor (1 Activities)

Discover Target: PGR

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

PGR Tclin Progesterone receptor (8562 Activities)

Discover Target: PGR

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

MCF7 (126967 Activities)

Explore this target

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

Zugehörige Ziele (nicht menschlich)

Mus musculus (284745 Activities)

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

COS-7 (515 Activities)

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

Plasma (328 Activities)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 370.400 g/mol
• XLogP3: 6.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 370.157 Da
• Monoisotopic Mass: 370.157 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 554.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1