PHTPP (Standard)

CAT: 0804-HY-103456R-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-103456R-02Size:10 mg

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Description

PHTPP (Standard) is the analytical standard of PHTPP. This product is intended for research and analytical applications. PHTPP is a selective estrogen receptor β (ERβ) antagonist with 36-fold selectivity over ERα[1].

CAS Number

805239-56-9

UNSPSC

12352005

Target

Estrogen Receptor/ERR; Reference Standards

Related Pathways

Others; Vitamin D Related/Nuclear Receptor

Field of Research

Cancer

Smiles

OC1=CC=C(C2=C3N=C(C(F)(F)F)C=C(C(F)(F)F)N3N=C2C4=CC=CC=C4)C=C1

Molecular Formula

C20H11F6N3O

Molecular Weight

423.31

References & Citations

[1]Ogo Y, et al. IGF-1 gene expression is differentially regulated by estrogen receptors α and β in mouse endometrial stromal cells and ovarian granulosa cells. J Reprod Dev. 2014;60 (3) :216-23. Epub 2014 Mar 25.|[2]Dennis R Compton, et al. Pyrazolo[1,5-a]pyrimidines: estrogen receptor ligands possessing estrogen receptor beta antagonist activity. J Med Chem. 2004 Nov 18;47 (24) :5872-93.

Shipping Conditions

Room temperature

Scientific Category

Reference Standards

Chemical Information

Phtpp

4-[2-phenyl-5,7-bis(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinyl]phenol is a member of pyrazoles and a ring assembly.

CAS Number	805239-56-9
PubChem CID	11201035
IUPAC Name	4-[2-phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenol
Molecular Formula	C20H11F6N3O
Molecular Weight	423.3
XLogP	5.1
Topological Polar Surface Area	50.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	2
Heavy Atom Count	30
Formal Charge	0
Complexity	586

SMILES

C1=CC=C(C=C1)C2=NN3C(=CC(=NC3=C2C4=CC=C(C=C4)O)C(F)(F)F)C(F)(F)F

InChI

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

InChIKey

AEZPAUSGTAHLOQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 805239-56-9

CID: 11201035

Formula: C20H11F6N3O

MW: 423.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	423.3
XLogP3	5.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	2
Exact Mass	423.08063096
Monoisotopic Mass	423.08063096
Topological Polar Surface Area	50.4 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	586
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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B7144-50	PHTPP

PHTPP (Standard)

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