Name: Name:N-[[2-[2-(trifluoromethyl)[1,1'-biphenyl]-4-yl]benzo[b]thien-5-yl]methyl]-β-alanine
Brand: AABLOCKS
SKU: AA01EPQM
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA01EPQM

Chemical Name: N-[[2-[2-(trifluoromethyl)[1,1'-biphenyl]-4-yl]benzo[b]thien-5-yl]methyl]-β-alanine

CAS Number: 820240-77-5

Molecular Formula: C25H20F3NO2S

Molecular Weight: 455.4920

SMILES: OC(=O)CCNCc1ccc2c(c1)cc(s2)c1ccc(c(c1)C(F)(F)F)c1ccccc1

Properties

Complexity: 625

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 32

Hydrogen Bond Acceptor Count: 7

Hydrogen Bond Donor Count: 2

Isotope Atom Count: 0

Rotatable Bond Count: 7

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 3.7

Literature fold

Title: The dual S1PR1/S1PR5 drug BAF312 (Siponimod) attenuates demyelination in organotypic slice cultures.

Journal: Journal of neuroinflammation20160101

Title: A sphingosine-1-phosphate receptor 1-directed agonist reduces central nervous system inflammation in a plasmacytoid dendritic cell-dependent manner.

Journal: Journal of immunology (Baltimore, Md. : 1950)20121001

Title: Sphingosine-1-phosphate-induced airway hyper-reactivity in rodents is mediated by the sphingosine-1-phosphate type 3 receptor.

Journal: The Journal of pharmacology and experimental therapeutics20120801

Title: Modulation of chemokines and allergic airway inflammation by selective local sphingosine-1-phosphate receptor 1 agonism in lungs.

Journal: Molecular pharmacology20110101

Title: Prolonged exposure to sphingosine 1-phosphate receptor-1 agonists exacerbates vascular leak, fibrosis, and mortality after lung injury.

Journal: American journal of respiratory cell and molecular biology20101201

Title: Treatment with a sphingosine analog does not alter the outcome of a persistent virus infection.

Journal: Virology20100220

Title: AUY954, a selective S1P(1) modulator, prevents experimental autoimmune neuritis.

Journal: Journal of neuroimmunology20091130

Title: Activation of the lung S1P(1) receptor reduces allergen-induced plasma leakage in mice.

Journal: British journal of pharmacology20091101

Title: Endogenous EPCR/aPC-PAR1 signaling prevents inflammation-induced vascular leakage and lethality.

Journal: Blood20090319

Title: beta-Arrestin recruitment assay for the identification of agonists of the sphingosine 1-phosphate receptor EDG1.

Journal: Journal of biomolecular screening20081201

Title: Phosphorylated FTY720 promotes astrocyte migration through sphingosine-1-phosphate receptors.

Journal: Journal of neurochemistry20070801

Title: Synthesis and biological evaluation of gamma-aminophosphonates as potent, subtype-selective sphingosine 1-phosphate receptor agonists and antagonists.

Journal: Bioorganic & medicinal chemistry20070115

Title: A monoselective sphingosine-1-phosphate receptor-1 agonist prevents allograft rejection in a stringent rat heart transplantation model.

Journal: Chemistry & biology20061101

820240-77-5 | N-[[2-[2-(trifluoromethyl)[1,1'-biphenyl]-4-yl]benzo[b]thien-5-yl]methyl]-β-alanine