1537859-24-7 | Ethanone, 1-​[4-​[3-​fluoro-​4-​[[(3S,​6R)​-​tetrahydro-​3-​methyl-​1,​1-​dioxido-​6-​phenyl-​2H-​1,​2-​thiazin-​2-​yl]​methyl]​phenyl]​-​1-​piperazinyl]​-

Availability
Typically In Stock

Description

• Catalog Number: AX07515
• Chemical Name: Ethanone, 1-​[4-​[3-​fluoro-​4-​[[(3S,​6R)​-​tetrahydro-​3-​methyl-​1,​1-​dioxido-​6-​phenyl-​2H-​1,​2-​thiazin-​2-​yl]​methyl]​phenyl]​-​1-​piperazinyl]​-
• CAS Number: 1537859-24-7
• Molecular Formula: C24H30FN3O3S
• Molecular Weight: 459.5767
• MDL Number: MFCD30533414
• SMILES: C[C@H]1CC[C@@H](S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)C(=O)C)c1ccccc1

Computed Properties

• Complexity: 744
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 2
• Heavy Atom Count: 32
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• XLogP3: 3

Literature

• Development of a Topical Treatment for Psoriasis Targeting RORγ: From Bench to Skin.

  PloS one 20160101

• Discovery of 1-{4-[3-fluoro-4-((3s,6r)-3-methyl-1,1-dioxo-6-phenyl-[1,2]thiazinan-2-ylmethyl)-phenyl]-piperazin-1-yl}-ethanone (GNE-3500): a potent, selective, and orally bioavailable retinoic acid receptor-related orphan receptor C (RORc or RORγ) inverse agonist.

  Journal of medicinal chemistry 20150709

• Pharmacologic inhibition of RORγt regulates Th17 signature gene expression and suppresses cutaneous inflammation in vivo.

  Journal of immunology (Baltimore, Md. : 1950) 20140315