Products for Research Use Only
RegisterLogin

Tolebrutinib

CAT: 0607-BA8818-1Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-BA8818-1Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1971920-73-6
Form
A solid
Molecular Formula
C26H25N5O3
Molecular Weight
455.51
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Tolebrutinib

Tolebrutinib (SAR442168) is a potent, selective, orally active and brain-penetrant inhibitor of Bruton tyrosine kinase (BTK), with IC50s of 0.4 and 0.7 nM in Ramos B cells and in HMC microglia cells, respectively. Tolebrutinib exhibits efficacy in central nervous system immunity. Tolebrutinib can be used for the research of multiple sclerosis (MS).

CAS Number1971920-73-6
PubChem CID124111565
IUPAC Name4-amino-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one
Molecular FormulaC26H25N5O3
Molecular Weight455.5
XLogP3.2
Topological Polar Surface Area92
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity749
SMILES
C=CC(=O)N1CCC[C@H](C1)N2C3=C(C(=NC=C3)N)N(C2=O)C4=CC=C(C=C4)OC5=CC=CC=C5
InChI
InChI=1S/C26H25N5O3/c1-2-23(32)29-16-6-7-19(17-29)30-22-14-15-28-25(27)24(22)31(26(30)33)18-10-12-21(13-11-18)34-20-8-4-3-5-9-20/h2-5,8-15,19H,1,6-7,16-17H2,(H2,27,28)/t19-/m1/s1
InChIKey
KOEUOFPEZFUWRF-LJQANCHMSA-N
Chemical Structure
2D Structure
2D structure of Tolebrutinib
CAS: 1971920-73-6
CID: 124111565
Formula: C26H25N5O3
MW: 455.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight455.5
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass455.19573968
Monoisotopic Mass455.19573968
Topological Polar Surface Area92 Ų
Heavy Atom Count34
Formal Charge0
Complexity749
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
MBS3613549-01Tolebrutinib

Popular Products