ChemicalBook--->CAS DataBase List--->1787294-07-8

1787294-07-8

1787294-07-8 Structure

1787294-07-8 Structure
IdentificationBack Directory
[Name]

LOU064
[CAS]

1787294-07-8
[Synonyms]

LOU064
LOU-064
REMIBRUTINIB
N-(3-{5-[2-(Acryloyl-methyl-amino)-ethoxy]-6-amino-pyrimidin-4-yl}-5-fluoro-2-methyl-phenyl)-4-cyclopropyl-2-fluoro-benzamide
Benzamide, N-[3-[6-amino-5-[2-[methyl(1-oxo-2-propen-1-yl)amino]ethoxy]-4-pyrimidinyl]-5-fluoro-2-methylphenyl]-4-cyclopropyl-2-fluoro-
[Molecular Formula]

C27H27F2N5O3
[MDL Number]

MFCD32215329
[MOL File]

1787294-07-8.mol
[Molecular Weight]

507.53
Chemical PropertiesBack Directory
[Boiling point ]

634.8±55.0 °C(Predicted)
[density ]

1.332±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO: 125 mg/mL (246.29 mM)
[form ]

Solid
[pka]

11.67±0.70(Predicted)
[color ]

White to off-white
[InChIKey]

CUABMPOJOBCXJI-UHFFFAOYSA-N
[SMILES]

C(NC1=CC(F)=CC(C2C(OCCN(C)C(=O)C=C)=C(N)N=CN=2)=C1C)(=O)C1=CC=C(C2CC2)C=C1F
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS07,GHS08
[Signal word ]

Danger
[Hazard statements ]

H317-H334
[Precautionary statements ]

P304+P341-P342+P311-P302+P352-P333+P313-P321-P261-P272-P280-P261-P285-P363-P501
Hazard InformationBack Directory
[Description]

Remibrutinib, is a potent and orally active bruton tyrosine kinase (BTK) inhibitor with an IC50 value of 1 nM. Remibrutinib inhibits BTK activity with an IC50 value of 0.023 μM in blood. Remibrutinib has the potential for Chronic urticaria (CU) treatment.
[Chemical Properties]

White to off-white Solid
[Uses]

Remibrutinib, is a potent and orally active bruton tyrosine kinase (BTK) inhibitor with an IC50 value of 1 nM. Remibrutinib inhibits BTK activity with an IC50 value of 0.023 μM in blood[1]. Remibrutinib has the potential for Chronic urticaria (CU) treatment[2].
[References]

[1] Daniela Angst, et al. Novel amino pyrimidine derivatives. Patent WO2015079417A1.
[2] Kolkhir P, et al. New treatments for chronic urticaria. Ann Allergy Asthma Immunol. 2019 Aug 23. DOI:10.1016/j.anai.2019.08.014
Spectrum DetailBack Directory
[Spectrum Detail]

Remibrutinib(1787294-07-8)1HNMR
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