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 Formula: C₂₀H₁₁F₆N₃O Peso molecolare: 423.31 Numero EC: 110-024-4 PubChem CID: 11201035

GRADE & PURITY Moligand™, 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

Panoramica

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

Specifications

Sinonimi

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

Specifiche e purezza

Moligand™, 10mM in DMSO

Meccanismi biochimici e fisiologici

Selective ERβ antagonist. Enhances cell growth. Impairs Nrf2 activation. Shows antiestrogenic effects in vivo.

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

ANTAGONIST

Meccanismo d'azione

Antagonist of Estrogen receptor-β

Nomi e identificatori

• Pubchem Sid: 528766638
• Sorrisi canonici: C1=CC=C(C=C1)C2=NN3C(=CC(=NC3=C2C4=CC=C(C=C4)O)C(F)(F)F)C(F)(F)F
• IUPAC Name: 4-[2-phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenol
• InChIKey: AEZPAUSGTAHLOQ-UHFFFAOYSA-N
• INCHI: 1S/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
• Isomeri 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
• Numero UN: 2811
• Gruppo di imballaggio: III
• Peso molecolare: 423.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• 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 Framework: Aromatic 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
• Descrizione: This 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

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

Obiettivi associati (umani)

ESR2 Tclin Estrogen receptor beta (1 Activities)

Discover Target: ESR2

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

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

Obiettivi associati (non umani)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

ESR1 Estrogen receptor (4 Activities)

Discover Target: ESR1

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 423.300 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 423.081 Da
• Monoisotopic Mass: 423.081 Da
• Topological Polar Surface Area: 50.400 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 586.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

Riferimenti

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]