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SR1078 - 98%, high purity , CAS No.1246525-60-9

1 Citations

COA

Grade & Purity:

≥98%

Cas Number: 1246525-60-9
Molecular Weight: 431.25
PubChem CID: 17980288

In stock

Item Number

S125236

Grouped product items
SKU	Size	Availability	Price
S125236-5mg	5mg	3	$99.90
S125236-25mg	25mg	2	$450.90
S125236-100mg	100mg	2	$1,044.90

RORα/γ agonist

View related series

Lipid metabolism (1912) Metabolic Enzyme/Protease (4860) ROR (47) Vitamin D Related/Nuclear Receptor (907)

Basic Description

Synonyms	1246525-60-9 \| SR1078 \| SR-1078 \| SR-03000001078-2 \| NCGC00379222-02 \| SR-03000001078 \| BDBM50444350 \| Benzamide, N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]-4-(trifluoromethyl)- \| s5775 \| BCP09203 \| N-(4-(1,1,1,3,3,3-hexafluoro-2-hyd
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	Agonist of retinoic acid receptor-related orphan receptors (ROR) RORα/γ. Increases transcription of RORαtarget genes; thought to increase p53 stability.
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.
Product Description	SR1078 is an agonist of retinoic acid receptor-related orphan receptors (ROR) RORα/γ; increases transcription of RORα target genes; thought to increase p53 stability.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Anilides
      - Level5 Aromatic anilides
        Level6 Benzanilides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Anilides
Intermediate Tree Nodes	Aromatic anilides
Direct Parent	Benzanilides
Alternative Parents	Trifluoromethylbenzenes Benzamides Benzoyl derivatives Tertiary alcohols Secondary carboxylic acid amides Fluorohydrins Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzanilide - Trifluoromethylbenzene - Benzamide - Benzoic acid or derivatives - Benzoyl - Tertiary alcohol - Carboxamide group - Secondary carboxylic acid amide - Fluorohydrin - Halohydrin - Carboxylic acid derivative - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Organic oxide - Alcohol - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
External Descriptors	Not available
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

Associated Targets(Human)

ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)

Discover Target: ABL1

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

GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

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CSNK1D Tchem Casein kinase I delta (4546 Activities)

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CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

Discover Target: CDK2

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AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)

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BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)

Discover Target: BRD4

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TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)

Discover Target: TRIM24

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BRPF1 Tchem Peregrin (2217 Activities)

Discover Target: BRPF1

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HEK-293T (167025 Activities)

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Associated Targets(non-human)

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

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

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)

Discover Target: Fgfr3

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Plasma (328 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-4-(trifluoromethyl)benzamide
INCHI	InChI=1S/C17H10F9NO2/c18-15(19,20)11-3-1-9(2-4-11)13(28)27-12-7-5-10(6-8-12)14(29,16(21,22)23)17(24,25)26/h1-8,29H,(H,27,28)
InChIKey	DUXWIYXHHGNUJU-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O)C(F)(F)F
Isomeric SMILES	C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O)C(F)(F)F
PubChem CID	17980288
Molecular Weight	431.25

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

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

Analytical Chart:

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1 results found

Lot Number	Certificate Type	Date	Item
E1718067	Certificate of Analysis	Jan 11, 2023	S125236

Chemical and Physical Properties

Solubility	Solvent:DMSO, Max Conc. mg/mL: 43.12, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 43.12, Max Conc. mM: 100
Molecular Weight	431.250 g/mol
XLogP3	4.800
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	3
Exact Mass	431.057 Da
Monoisotopic Mass	431.057 Da
Topological Polar Surface Area	49.300 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	555.000
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Min Chen, Yifei Xiao, Fugui Zhang, Jianhao Du, Li Zhang, Yifang Li, Danyi Lu, Zhigang Wang, Baojian Wu. (2022) Tangeretin prevents cognitive deficit in delirium through activating RORα/γ-E4BP4 axis in mice. BIOCHEMICAL PHARMACOLOGY, 205 (115286).

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