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Remibrutinib

CAT: 1410-M23801-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M23801-02Size:1 mL x 10 mM in DMSO
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Description
Remibrutinib inhibits BTK activity with an IC50 value of 0.023 μM in blood.
CAS Number
1787294-07-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
507.53
Molecular Formula
C27H27F2N5O3
Notes
Research use only, not for human use.
Receptor
BTK

Chemical Information

Remibrutinib

Remibrutinib is a selective Bruton's tyrosine kinase inhibitor. The FDA approved remibrutinib on September 30, 2025 as the only oral, targeted treatment for chronic spontaneous urticaria. Bruton's tyrosine kinase plays a role in B cell receptor and Fc receptor signalling, releasing histamine and pro-inflammatory mediators. Remibrutinib has also been investigated in other inflammatory conditions, such as autoimmune encephalomyelitis and Sjögren's syndrome.

CAS Number1787294-07-8
PubChem CID118107483
IUPAC NameN-[3-[6-amino-5-[2-[methyl(prop-2-enoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-4-cyclopropyl-2-fluorobenzamide
Molecular FormulaC27H27F2N5O3
Molecular Weight507.5
XLogP3.9
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity815
SMILES
CC1=C(C=C(C=C1NC(=O)C2=C(C=C(C=C2)C3CC3)F)F)C4=C(C(=NC=N4)N)OCCN(C)C(=O)C=C
InChI
InChI=1S/C27H27F2N5O3/c1-4-23(35)34(3)9-10-37-25-24(31-14-32-26(25)30)20-12-18(28)13-22(15(20)2)33-27(36)19-8-7-17(11-21(19)29)16-5-6-16/h4,7-8,11-14,16H,1,5-6,9-10H2,2-3H3,(H,33,36)(H2,30,31,32)
InChIKey
CUABMPOJOBCXJI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Remibrutinib
CAS: 1787294-07-8
CID: 118107483
Formula: C27H27F2N5O3
MW: 507.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight507.5
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass507.20819606
Monoisotopic Mass507.20819606
Topological Polar Surface Area110 Ų
Heavy Atom Count37
Formal Charge0
Complexity815
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

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