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Bevurogant

CAT: 0013-GTR19170637-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19170637-05Size:25 mg
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Description
Bevurogant is a selective RORγt receptor antagonist used in research for chronic inflammatory diseases. It has been employed in both in vitro binding assays and in vivo models, such as murine autoimmune studies, to investigate pathways in conditions like psoriasis and arthritis.
CAS Number
1817773-66-2
Product Name Alternative
Inhibit, Inhibitor, Bevurogant, RAR-related orphan receptor, RORγt, ROR
Field of Research
Metabolism Research
Purity
98.78% (May vary between batches)
Solubility
DMSO:245 mg/mL (459.99 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:5 mg/mL (9.39 mM)
Smiles
C[C@@H] (C1CC1) n1c2nc (ncc2nc (NCc2ccc (cn2) S (C) (=O) =O) c1=O) -c1c (C) ncnc1C1CC1
Molecular Formula
C26H28N8O3S
Molecular Weight
532.62
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bevurogant

Bevurogant is a small molecule drug. The usage of the INN stem '-rogant' in the name indicates that Bevurogant is a retinoic acid receptor-related orphan receptor gamma (RORY) antagonist and inverse agonist. Bevurogant has a monoisotopic molecular weight of 532.2 Da.

CAS Number1817773-66-2
PubChem CID118440466
IUPAC Name8-[(1S)-1-cyclopropylethyl]-2-(4-cyclopropyl-6-methylpyrimidin-5-yl)-6-[(5-methylsulfonyl-2-pyridinyl)methylamino]pteridin-7-one
Molecular FormulaC26H28N8O3S
Molecular Weight532.6
XLogP1.1
Topological Polar Surface Area152
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count38
Formal Charge0
Complexity1030
SMILES
CC1=C(C(=NC=N1)C2CC2)C3=NC=C4C(=N3)N(C(=O)C(=N4)NCC5=NC=C(C=C5)S(=O)(=O)C)[C@@H](C)C6CC6
InChI
InChI=1S/C26H28N8O3S/c1-14-21(22(17-6-7-17)31-13-30-14)23-29-12-20-25(33-23)34(15(2)16-4-5-16)26(35)24(32-20)28-10-18-8-9-19(11-27-18)38(3,36)37/h8-9,11-13,15-17H,4-7,10H2,1-3H3,(H,28,32)/t15-/m0/s1
InChIKey
HVVHIBHBDCYLDI-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of Bevurogant
CAS: 1817773-66-2
CID: 118440466
Formula: C26H28N8O3S
MW: 532.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight532.6
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass532.20050796
Monoisotopic Mass532.20050796
Topological Polar Surface Area152 Ų
Heavy Atom Count38
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA8326-5Bevurogant

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