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Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
Remibrutinib (LOU064) Remibrutinib (LOU064) is a potent, highly selective covalent inhibitor of bruton tyrosine kinase (BTK) with IC50 of 1.3 nM, 2.5 nM and 18 nM for BTK, FcγR-induced IL8 and anti-IgM/IL4-induced CD69, respectively. Remibrutinib (LOU064) exhibits an exquisite kinase selectivity due to binding to an inactive conformation of BTK and has the potential for the treatment of autoimmune diseases.
Targets
BTK (Cell-free assay); IL-8 (Cell-free assay); CD69 (Cell-free assay) 1.3 nM; 2.5 nM; 18 nM
In vitro
LOU064 exhibits an exquisite kinase selectivity due to binding to an inactive conformation of BTK and has the potential for a best-in-class covalent BTK inhibitor for the treatment of autoimmune diseases.
In vivo
LOU064 demonstrates potent in vivo target occupancy with an EC90 of 1.6 mg/kg and dose-dependent efficacy in rat collagen-induced arthritis.
Cell Research(from reference)
Cell lines:human monocytic cell line THP1, Human Blood B cell and Basophil.
Concentrations:3 nM, 10 nM, 30 nM, 100 nM, 300 nM
Incubation Time:25 min, 50 min, 75 min, 100 min
| ALogP | 4.374 |
|---|---|
| Recuento HBD | 2 |
| Enlace rotable | 9 |
| Pubchem Sid | 504772850 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504772850 |
| Sonrisas canónicas | 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 |
| IUPAC Name | N-[3-[6-amino-5-[2-[methyl(prop-2-enoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-4-cyclopropyl-2-fluorobenzamide |
| InChIKey | CUABMPOJOBCXJI-UHFFFAOYSA-N |
| 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) |
| Isómeros 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 |
| PubChem CID | 118107483 |
| Número ONU | 2811 |
| Grupo de embalaje | III |
| Peso molecular | 507.53 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Aromatic anilides |
| Direct Parent | Benzanilides |
| Alternative Parents | Phenylpyrimidines 2-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Toluenes Fluorobenzenes Aminopyrimidines and derivatives Alkyl aryl ethers Imidolactams Aryl fluorides Vinylogous halides Tertiary carboxylic acid amides Heteroaromatic compounds Acrylic acids and derivatives Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Primary amines Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzanilide - 5-phenylpyrimidine - 4-phenylpyrimidine - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Benzoyl - Toluene - Halobenzene - Fluorobenzene - Aminopyrimidine - Alkyl aryl ether - Imidolactam - Pyrimidine - Aryl halide - Aryl fluoride - Acrylic acid or derivatives - Heteroaromatic compound - Vinylogous halide - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Amine - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Mar 27, 2026 | R414448 | |
| Certificate of Analysis | Aug 12, 2025 | R414448 | |
| Certificate of Analysis | Aug 12, 2025 | R414448 | |
| Certificate of Analysis | Aug 12, 2025 | R414448 |
| Solubilidad | Solubility (25°C) In vitro DMSO: 100 mg/mL (197.03 mM); Ethanol: 4 mg/mL (7.88 mM); Water: Insoluble; |
|---|---|
| DMSO (mg/ml) Solubilidad máxima | 100 |
| DMSO (mM) Solubilidad máxima | 197.032687722893 |
| Agua (mg/ml) Solubilidad máxima | <1 |
| Peso molecular | 507.500 g/mol |
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 9 |
| Exact Mass | 507.208 Da |
| Monoisotopic Mass | 507.208 Da |
| Topological Polar Surface Area | 110.000 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 815.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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