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XY 018 - ≥98%(HPLC), high purity , CAS No.1873358-87-2

COA COA
    Grade & Purity:
  • ≥98%(HPLC)
In stock
Item Number
X287896
Grouped product items
SKU Size
Availability
 Price Qty
X287896-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$109.90
X287896-10mg
10mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$179.90
X287896-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$359.90
X287896-50mg
50mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$599.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

RORγ antagonist; inhibits AR expression

View related series
Lipid metabolism (1912) Metabolic Enzyme/Protease (4860) Nuclear Receptors (1) Retinoic Acid-related Orphan Receptor Antagonists (1) Retinoic Acid-related Orphan Receptors (1) ROR (47) Vitamin D Related/Nuclear Receptor (907)

Basic Description

Synonyms N-[2'-Fluoro-4'-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl][1,1'biphenyl]-4-yl]-2-nitrobenzeneacetamide
Specifications & Purity ≥98%(HPLC)
Biochemical and Physiological Mechanisms RORγ antagonist (EC50= 190 nM). Suppresses androgen receptor expression in prostate cancer cell lines. Also inhibits growth of tumors in androgen receptor-positive xenograft models.
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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Benzene and substituted derivatives
Subclass Phenylacetamides
Intermediate Tree Nodes Not available
Direct Parent Phenylacetamides
Alternative Parents Nitrobenzenes  Anilides  Nitroaromatic compounds  N-arylamides  Fluorobenzenes  Propargyl-type 1,3-dipolar organic compounds  Carboxylic acid amides  Organopnictogen compounds  Organofluorides  Organic oxoanionic compounds  Organic oxides  Hydrocarbon derivatives  Aromatic alcohols  Alkyl fluorides  
Molecular Framework Aromatic homomonocyclic compounds
Substituents Phenylacetamide - Anilide - Nitrobenzene - Nitroaromatic compound - N-arylamide - Halobenzene - Fluorobenzene - Organic nitro compound - C-nitro compound - Carboxamide group - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organic hyponitrite - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic homomonocyclic compound
Description This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids.
External Descriptors Not available

Associated Targets(Human)

ABL1 Tclin Tyrosine-protein kinase ABL (18331 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
NR1H4 Tclin Bile acid receptor FXR (6228 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
NR1H3 Tchem LXR-alpha (2891 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
DU-145 (51482 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PC-3 (62116 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
LNCaP (8286 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CWR22R (2180 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
RORA Tchem Nuclear receptor ROR-alpha (562 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
RORB Tchem Nuclear receptor ROR-beta (600 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
HEK-293T (167025 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
Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 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

IUPAC Name N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-2-(2-nitrophenyl)acetamide
INCHI InChI=1S/C23H15F7N2O4/c24-18-12-15(21(34,22(25,26)27)23(28,29)30)7-10-17(18)13-5-8-16(9-6-13)31-20(33)11-14-3-1-2-4-19(14)32(35)36/h1-10,12,34H,11H2,(H,31,33)
InChIKey MNVXADPCMINSEC-UHFFFAOYSA-N
Smiles C1=CC=C(C(=C1)CC(=O)NC2=CC=C(C=C2)C3=C(C=C(C=C3)C(C(F)(F)F)(C(F)(F)F)O)F)[N+](=O)[O-]
Isomeric SMILES C1=CC=C(C(=C1)CC(=O)NC2=CC=C(C=C2)C3=C(C=C(C=C3)C(C(F)(F)F)(C(F)(F)F)O)F)[N+](=O)[O-]
PubChem CID 130248006
Molecular Weight 516.36

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.

8 results found

Lot Number Certificate Type Date Item
B2513405 Certificate of Analysis Sep 30, 2024 X287896
B2513399 Certificate of Analysis Sep 30, 2024 X287896
B2513402 Certificate of Analysis Sep 30, 2024 X287896
B2513403 Certificate of Analysis Sep 30, 2024 X287896
B2513404 Certificate of Analysis Sep 30, 2024 X287896
B2513415 Certificate of Analysis Sep 30, 2024 X287896
B2513416 Certificate of Analysis Sep 30, 2024 X287896
B2513417 Certificate of Analysis Sep 30, 2024 X287896

Chemical and Physical Properties

Solubility Solvent:DMSO, Max Conc. mg/mL: 51.64, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 51.64, Max Conc. mM: 100
Molecular Weight 516.400 g/mol
XLogP3 5.400
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 5
Exact Mass 516.092 Da
Monoisotopic Mass 516.092 Da
Topological Polar Surface Area 95.200 Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 764.000
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

Solution Calculators

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