N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-thiophenesulfonamide

Base Information

Chemical Name:N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-thiophenesulfonamide
CAS No.:293753-05-6
Molecular Formula:C13H9F6NO3S2
Molecular Weight:405.3358792
Hs Code.:
DSSTox Substance ID:DTXSID70368245
Wikidata:Q27164113
ChEMBL ID:CHEMBL3218916
Mol file:293753-05-6.mol

Synonyms:ML 176;ML-176;ML176 cpd;SR 3335;SR-3335;SR3335

Suppliers and Price of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-thiophenesulfonamide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Sigma-Aldrich
SR3335 ≥98% (HPLC)
5MG
$ 79.00

Sigma-Aldrich
SR3335 ≥98% (HPLC)
25MG
$ 319.00

DC Chemicals
SR3335 >98%
1 g
$ 2400.00

CSNpharm
SR-3335
10mg
$ 166.00

CSNpharm
SR-3335
25mg
$ 379.00

Crysdot
SR3335 98+%
25mg
$ 356.00

Crysdot
SR3335 98+%
50mg
$ 676.00

ChemScene
SR3335 99.43%
5mg
$ 102.00

ChemScene
SR3335 99.43%
10mg
$ 182.00

ChemScene
SR3335 99.43%
100mg
$ 1440.00

Total 14 raw suppliers

Chemical Property of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-thiophenesulfonamide

Chemical Property:

PSA：103.02000
LogP:5.01490
Storage Temp.:Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
Solubility.:insoluble in H2O; ≥87.4 mg/mL in EtOH; ≥88.8 mg/mL in DMSO
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:4
Exact Mass:404.99280447
Heavy Atom Count:25
Complexity:550

Purity/Quality:

97% ^*data from raw suppliers

SR3335 ≥98% (HPLC) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CSC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O
Description The retinoic acid receptor-related receptors (RORs) are orphan nuclear receptors with diverse putative roles. SR 3335 is a selective inverse agonist of RORα, competitively inhibiting the binding of 25-hydroxycholesterol to the ligand binding domain (Ki = 220 nM) and inhibiting constitutive transactivation activity (IC50 = 480 nM). It is without effect on RORβ, RORγ, farnesoid X receptor, or liver X receptor α. SR 3335 evokes RORα-dependent effects both in vitro and in vivo, altering gene expression as well as gluconeogenesis.

Technology Process of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-thiophenesulfonamide

There total 2 articles about N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-thiophenesulfonamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 62.0%

: 16629-19-9
thiophene-2-sulfonyl chloride

: 722-92-9
2-(4-aminophenyl)-1,1,1,3,3,3-hexafluoro-2-propanol

: 293753-05-6
SR₃₃₃₅

Guidance literature:: With 2,6-dimethylpyridine; In acetone; at 80 ℃; for 24h; Product distribution / selectivity; Inert atmosphere;

Reference yield:

: 62-53-3
aniline

: 293753-05-6
SR₃₃₃₅

Guidance literature:: Multi-step reaction with 2 steps

1: toluene-4-sulfonic acid / 130 °C / Neat (no solvent)

2: 2,6-dimethylpyridine / acetone / 24 h / 80 °C / Inert atmosphere

With 2,6-dimethylpyridine; toluene-4-sulfonic acid; In acetone;