Name: Name:1-(4-(3-fluoro-4-(((3S,6R)-3-methyl-1,1-dioxido-6-phenyl-1,2-thiazinan-2-yl)methyl)phenyl)piperazin-1-yl)ethanone
Brand: Angene
SKU: AG01DGN7
Rating: 90 (10 reviews)

1-(4-(3-fluoro-4-(((3S,6R)-3-methyl-1,1-dioxido-6-phenyl-1,2-thiazinan-2-yl)methyl)phenyl)piperazin-1-yl)ethanone

CAS No.:

1537859-24-7

Catalog Number:

AG01DGN7

Molecular Formula:

C24H30FN3O3S

Molecular Weight:

459.5767

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

100mg

95%

In Stock USA

United States

$315

- +

Product Description

Catalog Number:

AG01DGN7

Chemical Name:

1-(4-(3-fluoro-4-(((3S,6R)-3-methyl-1,1-dioxido-6-phenyl-1,2-thiazinan-2-yl)methyl)phenyl)piperazin-1-yl)ethanone

CAS Number:

1537859-24-7

Molecular Formula:

C24H30FN3O3S

Molecular Weight:

459.5767

MDL Number:

MFCD30533414

IUPAC Name:

1-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]piperazin-1-yl]ethanone

InChI:

InChI=1S/C24H30FN3O3S/c1-18-8-11-24(20-6-4-3-5-7-20)32(30,31)28(18)17-21-9-10-22(16-23(21)25)27-14-12-26(13-15-27)19(2)29/h3-7,9-10,16,18,24H,8,11-15,17H2,1-2H3/t18-,24+/m0/s1

InChI Key:

WLCIIQPUMOJJOF-MHECFPHRSA-N

SMILES:

C[C@H]1CC[C@@H](S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)C(=O)C)c1ccccc1

Properties

Complexity:

744

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

459.199g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

459.58g/mol

Monoisotopic Mass:

459.199g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
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