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

CAS: 303126-97-8 Cat. No.: S286968 Molecular Weight: 397.7 EC Number: 110-754-3 PubChem CID: 2323435

GRADE & PURITY ≥98%(HPLC)

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

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。

Specifications

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

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488192090
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192090
• Canonical Smiles: C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O)Cl
• IUPAC Name: 2-chloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide
• InChIKey: IZVBONMVWLTLNT-UHFFFAOYSA-N
• 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)
• 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

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 Ų
• 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