Products for Research Use Only
RegisterLogin

RORγt inhibitor 4

CAT: 0013-GTR19249619-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19249619-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Compound 9a is a potent, orally bioavailable, and brain-penetrant RORγt inverse agonist. It demonstrates efficacy in Th17-driven disease models, including the amelioration of clinical symptoms in experimental autoimmune encephalomyelitis (EAE) in vivo.
CAS Number
1426803-07-7
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
O=C (NC=1C=C (Cl) C (=C (Cl) C1) C=2C=CC=CC2OC (F) (F) F) CC3=CC=C (C=C3) S (=O) (=O) C
Molecular Formula
C22H16Cl2F3NO4S
Molecular Weight
518.333
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

RORgammat-IN-9a
CAS Number1426803-07-7
PubChem CID71285817
IUPAC NameN-[3,5-dichloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-methylsulfonylphenyl)acetamide
Molecular FormulaC22H16Cl2F3NO4S
Molecular Weight518.3
XLogP6
Topological Polar Surface Area80.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity757
SMILES
CS(=O)(=O)C1=CC=C(C=C1)CC(=O)NC2=CC(=C(C(=C2)Cl)C3=CC=CC=C3OC(F)(F)F)Cl
InChI
InChI=1S/C22H16Cl2F3NO4S/c1-33(30,31)15-8-6-13(7-9-15)10-20(29)28-14-11-17(23)21(18(24)12-14)16-4-2-3-5-19(16)32-22(25,26)27/h2-9,11-12H,10H2,1H3,(H,28,29)
InChIKey
AKJULTWNHWSAFM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of RORgammat-IN-9a
CAS: 1426803-07-7
CID: 71285817
Formula: C22H16Cl2F3NO4S
MW: 518.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight518.3
XLogP36
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass517.0129190
Monoisotopic Mass517.0129190
Topological Polar Surface Area80.9 Ų
Heavy Atom Count33
Formal Charge0
Complexity757
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19212676-01RORγt inhibitor 2
GTR19189583RORγt inhibitor 1
GTR19185540-01RORγt modulator 4
GTR19212675-01RORγt modulator 5
GTR19204923-01RORγt agonist 1
GTR19184602-01RORγt/DHODH-IN-3
GTR18895704ROR gamma T peptide
GTR19186139-01RORγt/DHODH-IN-2
GTR19184952-01RORγt modulator 2
GTR19184669-01RORγt agonist 2

Alternative Products

CatalogName
NBP2-29335VPR-66 ROR gamma T and ROR alpha Inhibitor (ROR gamma T and ROR alpha Inhibitor)
T205045-01RORγt inhibitor 4
T39038RORγt inhibitor 1
T72595-01RORγt inhibitor 2
HY-112863RORγt inhibitor 3
MBS3609390-01T.cruzi Inhibitor
T4248-01T.cruzi Inhibitor hydrochloride
T64203-01T-Type calcium channel inhibitor 2
LA7615V-C-N-T Inhibitor, VCNT
MBS634646-01Enfuvirtide T-20 (human Immunodeficiency Fusion Inhibitor)

Popular Products