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2，3-Bis(4-hydroxyphenyl)propionitrile - ≥98%(HPLC), high purity , CAS No.1428-67-7, Agonist of Estrogen receptor-α;Agonist of Estrogen receptor-β

COA COA
In stock
Item Number
B136090
Grouped product items
SKU Size
Availability
 Price Qty
B136090-10mg
10mg
3
$64.90
B136090-50mg
50mg
2
$260.90
B136090-250mg
250mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$1,174.90
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Bulk Order  SDS  DATASHEET  Specification Sheet

Potent, selective ERβ agonist

View related series
Apoptosis (4276) Autophagy (1917) Estrogen receptor-α Agonist (15) Estrogen receptor-β Agonist (14) Estrogen Receptor/ERR (213) Vitamin D Related/Nuclear Receptor (907)

Basic Description

Synonyms Divinyl sulfone, contains <650 ppm hydroquinone as inhibitor, 97% | SR-01000597601-2 | (+/-)-2,3-bis(4-hydroxyphenyl)propanenitrile | MFCD01695412 | UNII-52XWB8Q4V8 | Benzenepropanenitrile,4-hydroxy-a-(4-hydroxyphenyl)- | HB2489 | HMS3650I14 | 2,3-bis(4-h
Specifications & Purity Moligand™, ≥98%(HPLC)
Biochemical and Physiological Mechanisms 2,3-Bis(4-hydroxyphenyl)-propionitrile (Diarylprepionitrile, DPN) is an ERβ-selective agonist; IC50 = 15nM. DPN protects WT and ARKO mice and significantly decreases IL-1β following LPS treatment in young adult-derived microglia. PPT (Cat. No.H6036, ERa a
Storage Temp Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade Moligand™
Action Type AGONIST
Mechanism of action Agonist of Estrogen receptor-α;Agonist of Estrogen receptor-β
Note Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Phenylpropanoids and polyketides
Class Stilbenes
Subclass Not available
Intermediate Tree Nodes Not available
Direct Parent Stilbenes
Alternative Parents 1-hydroxy-2-unsubstituted benzenoids  Benzene and substituted derivatives  Nitriles  Organopnictogen compounds  Organooxygen compounds  Hydrocarbon derivatives  
Molecular Framework Aromatic homomonocyclic compounds
Substituents Stilbene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - 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 phenols - nitrile

Associated Targets(Human)

ESR1 Tclin Estrogen receptor (5 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
ESR2 Tclin Estrogen receptor beta (12 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ESR2 Tclin Estrogen receptor beta (9272 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CSNK1D Tchem Casein kinase I delta (4546 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MCF7 (126967 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
U2OS (164939 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BRPF1 Tchem Peregrin (2217 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Mapk1 MAP kinase ERK2 (650 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mus musculus (284745 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ESR1 Estrogen receptor (4 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 504756527
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504756527
IUPAC Name 2,3-bis(4-hydroxyphenyl)propanenitrile
INCHI InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2
InChIKey GHZHWDWADLAOIQ-UHFFFAOYSA-N
Smiles C1=CC(=CC=C1CC(C#N)C2=CC=C(C=C2)O)O
Isomeric SMILES C1=CC(=CC=C1CC(C#N)C2=CC=C(C=C2)O)O
WGK Germany 3
Molecular Weight 239.27
Reaxy-Rn 3337109
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3337109&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number Certificate Type Date Item
D2017126 Certificate of Analysis Nov 16, 2023 B136090
K2321238 Certificate of Analysis Nov 16, 2023 B136090
L2220106 Certificate of Analysis Jan 06, 2023 B136090

Chemical and Physical Properties

Solubility Soluble in 1eq. NaOH (30 mM), ethanol (100 mM), DMSO (100 mM), DMF (~30 mg/ml), and water (0.5 mg/ml at 25°C).
Sensitivity Moisture & heat sensitive
Melt Point(°C) 200-204°C
Molecular Weight 239.270 g/mol
XLogP3 2.900
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 239.095 Da
Monoisotopic Mass 239.095 Da
Topological Polar Surface Area 64.300 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 293.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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