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SR 0987 - ≥98%(HPLC), high purity , CAS No.303126-97-8

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 303126-97-8
Molecular Weight: 397.7
PubChem CID: 2323435
PubChem SID: 488192090

In stock

Item Number

S286968

Grouped product items
SKU	Size	Availability	Price
S286968-5mg	5mg	6	$78.90
S286968-10mg	10mg	5	$137.90
S286968-25mg	25mg	3	$276.90
S286968-50mg	50mg	3	$474.90
S286968-100mg	100mg	3	$850.90

T cell-specific RORγ (RORγt) agonist

View related series

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

Basic Description

Synonyms	2-Chloro-N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]benzamide \| 2-Chloro-N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)benzamide
Specifications & Purity	≥98%(HPLC)
Biochemical and Physiological Mechanisms	T cell-specific RORγ(RORγt) agonist (EC50= 800 nM in a gene reporter assay). InducesIL-17expression and decreasesPD-1expression in T cellsin vitro.
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	SR0987, a SR1078 analog, is a RORγt agonist, with an EC50 of 800 nM. SR0987 increases IL17 expression while repressing the expression of PD-1。

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	2-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous halides Tertiary alcohols Secondary carboxylic acid amides Fluorohydrins Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organonitrogen compounds Aromatic alcohols Alkyl fluorides Organopnictogen compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzanilide - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Tertiary alcohol - Carboxamide group - Secondary carboxylic acid amide - Fluorohydrin - Halohydrin - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Alcohol - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - 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

Names and Identifiers

Pubchem Sid	488192090
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488192090
IUPAC Name	2-chloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide
INCHI	InChI=1S/C16H10ClF6NO2/c17-12-4-2-1-3-11(12)13(25)24-10-7-5-9(6-8-10)14(26,15(18,19)20)16(21,22)23/h1-8,26H,(H,24,25)
InChIKey	IZVBONMVWLTLNT-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O)Cl
Isomeric SMILES	C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O)Cl
PubChem CID	2323435
Molecular Weight	397.7

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

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

Analytical Chart:

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10 results found

Lot Number	Certificate Type	Date	Item
D23211191	Certificate of Analysis	Mar 20, 2023	S286968
D23211202	Certificate of Analysis	Mar 20, 2023	S286968
D23211207	Certificate of Analysis	Mar 20, 2023	S286968
D23211184	Certificate of Analysis	Mar 20, 2023	S286968
D23211194	Certificate of Analysis	Mar 20, 2023	S286968
D23211195	Certificate of Analysis	Mar 20, 2023	S286968
D23211193	Certificate of Analysis	Mar 20, 2023	S286968
D23211190	Certificate of Analysis	Mar 20, 2023	S286968
D23211219	Certificate of Analysis	Mar 20, 2023	S286968
D23211215	Certificate of Analysis	Mar 20, 2023	S286968

Chemical and Physical Properties

Solubility	Solvent:DMSO, Max Conc. mg/mL: 39.77, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 39.77, Max Conc. mM: 100
Molecular Weight	397.700 g/mol
XLogP3	4.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	397.03 Da
Monoisotopic Mass	397.03 Da
Topological Polar Surface Area	49.300 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	488.000
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

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