PHTPP - Moligand™, 10mM in DMSO , Antagonist of Estrogen receptor-β, CAS No.805239-56-9, Antagonist of Estrogen receptor-β

CAS: 805239-56-9 Cat. No.: P426086 Fórmula: C20H11F6N3O Peso molecular: 423.31 Número EC: 110-024-4 PubChem CID: 11201035
Disponible para pedir
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
Synonyms
NN82CVN36N | HB2503 | HMS3677P09 | BS-17633 | 4-(2-Phenyl-5,7-bis-trifluoromethyl-pyrazolo[1,5-a]pyrimidin-3-yl)-phenol | C20H11F6N3O | C76580 | EX-A3507 | HMS2307J06 | DTXSID10458573 | SCHEMBL15556029 | CCG-268920 | Pyrazolo[1,5-a]pyrimidine, 2a | AKOS00
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
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Size
USA
Alemania (EU)*
Price
Qty
1ml
P426086-1ml
2 Disponible
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164,90US$

241,90US$
Guardar 77,00 US$ (31.83%)
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Why this grade

Moligand™, 10mM in DMSO Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

Store at Room Temperature. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Sinónimos
NN82CVN36N | HB2503 | HMS3677P09 | BS-17633 | 4-(2-Phenyl-5,7-bis-trifluoromethyl-pyrazolo[1,5-a]pyrimidin-3-yl)-phenol | C20H11F6N3O | C76580 | EX-A3507 | HMS2307J06 | DTXSID10458573 | SCHEMBL15556029 | CCG-268920 | Pyrazolo[1,5-a]pyrimidine, 2a | AKOS00
Especificaciones y pureza
Moligand™, 10mM in DMSO
Mecanismos bioquímicos y fisiológicos
Selective ERβ antagonist. Enhances cell growth. Impairs Nrf2 activation. Shows antiestrogenic effects in vivo.
Condiciones de almacenamiento de almacenamiento
Store at -80°C
Enviado en
Dry ice packs + Cold packs
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Grado
Moligand™
Tipo de acción
ANTAGONIST
Mecanismo de acción
Antagonist of Estrogen receptor-β
Nombres e identificadores
Pubchem Sid528766638
Sonrisas canónicasC1=CC=C(C=C1)C2=NN3C(=CC(=NC3=C2C4=CC=C(C=C4)O)C(F)(F)F)C(F)(F)F
IUPAC Name4-[2-phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenol
InChIKeyAEZPAUSGTAHLOQ-UHFFFAOYSA-N
INCHI1S/C20H11F6N3O/c21-19(22,23)14-10-15(20(24,25)26)29-18(27-14)16(11-6-8-13(30)9-7-11)17(28-29)12-4-2-1-3-5-12/h1-10,30H
Isómeros SMILES C1=CC=C(C=C1)C2=NN3C(=CC(=NC3=C2C4=CC=C(C=C4)O)C(F)(F)F)C(F)(F)F
PubChem CID 11201035
Número ONU 2811
Grupo de embalaje III
Peso molecular 423.31

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseAzoles
SubclassPyrazoles
Intermediate Tree Nodes Not available
Direct ParentPhenylpyrazoles
Alternative Parents Pyrazolo[1,5-a]pyrimidines  1-hydroxy-2-unsubstituted benzenoids  Pyrimidines and pyrimidine derivatives  Benzene and substituted derivatives  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organofluorides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phenylpyrazole - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Heteroaromatic compound - Azacycle - Alkyl fluoride - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
ESR2 Tclin Estrogen receptor beta (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ESR2 Tclin Estrogen receptor beta (9272 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ESR1 Estrogen receptor (4 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular423.300 g/mol
XLogP35.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass423.081 Da
Monoisotopic Mass423.081 Da
Topological Polar Surface Area50.400 Ų
Heavy Atom Count30
Formal Charge0
Complexity586.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
Referencias
1. Xiuting Xiang, Weizhou Jiang, Praneetha Palasuberniama, M. Tanveer Hossain Parash, Rahmawati Pare, Yunjun Ruan.  (2026)  Estrogen receptor–autophagy axis protects the heart, aorta and kidneys during perimenopausal aging: Evidence from human cohort and mouse experiments.  LIFE SCIENCES,      [PMID:41490658] [10.1016/j.lfs.2025.124183]
Calculadoras de soluciones
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📚 Citations by Application

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