REMIBRUTINIB

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H27F2N5O3
Molecular Weight	507.5318
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

CN(CCOC1=C(N)N=CN=C1C2=CC(F)=CC(NC(=O)C3=CC=C(C=C3F)C4CC4)=C2C)C(=O)C=C

InChI

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)

HIDE SMILES / InChI

Molecular Formula	C27H27F2N5O3
Molecular Weight	507.5318
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

C_max

Value	Dose	Analyte	Population
187 ng/mL	100 mg single, oral	REMIBRUTINIB plasma	Homo sapiens
233 ng/mL	100 mg 1 times / day steady-state, oral	REMIBRUTINIB plasma	Homo sapiens
518 ng/mL	400 mg single, oral	REMIBRUTINIB plasma	Homo sapiens
551 ng/mL	400 mg 1 times / day steady-state, oral	REMIBRUTINIB plasma	Homo sapiens
550 ng/mL	600 mg single, oral	REMIBRUTINIB plasma	Homo sapiens
563 ng/mL	600 mg 1 times / day steady-state, oral	REMIBRUTINIB plasma	Homo sapiens
180 ng/mL	100 mg 2 times / day multiple, oral	REMIBRUTINIB blood	Homo sapiens
306 ng/mL	100 mg 2 times / day steady-state, oral	REMIBRUTINIB blood	Homo sapiens
236 ng/mL	200 mg 2 times / day multiple, oral	REMIBRUTINIB plasma	Homo sapiens
347 ng/mL	200 mg 2 times / day steady-state, oral	REMIBRUTINIB plasma	Homo sapiens

AUC

Value	Dose	Analyte	Population
315 ng × h/mL	100 mg single, oral	REMIBRUTINIB plasma	Homo sapiens
485 ng × h/mL	100 mg 1 times / day steady-state, oral	REMIBRUTINIB plasma	Homo sapiens
977 ng × h/mL	400 mg single, oral	REMIBRUTINIB plasma	Homo sapiens
1280 ng × h/mL	400 mg 1 times / day steady-state, oral	REMIBRUTINIB plasma	Homo sapiens
1080 ng × h/mL	600 mg single, oral	REMIBRUTINIB plasma	Homo sapiens
1230 ng × h/mL	600 mg 1 times / day steady-state, oral	REMIBRUTINIB plasma	Homo sapiens
337 ng × h/mL	100 mg 2 times / day multiple, oral	REMIBRUTINIB blood	Homo sapiens
496 ng × h/mL	100 mg 2 times / day steady-state, oral	REMIBRUTINIB blood	Homo sapiens
464 ng × h/mL	200 mg 2 times / day multiple, oral	REMIBRUTINIB plasma	Homo sapiens
963 ng × h/mL	200 mg 2 times / day steady-state, oral	REMIBRUTINIB plasma	Homo sapiens

T_1/2

Value	Dose	Analyte	Population
1.41 h	100 mg 1 times / day steady-state, oral	REMIBRUTINIB plasma	Homo sapiens
8.51 h	400 mg 1 times / day steady-state, oral	REMIBRUTINIB plasma	Homo sapiens
8.29 h	600 mg 1 times / day steady-state, oral	REMIBRUTINIB plasma	Homo sapiens
2.84 h	100 mg 2 times / day steady-state, oral	REMIBRUTINIB blood	Homo sapiens
12.4 h	200 mg 2 times / day steady-state, oral	REMIBRUTINIB plasma	Homo sapiens

Substance Class	Chemical
Record UNII	I7MVZ8HDNU
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

LOU064-NXA

Preferred Name

English

REMIBRUTINIB

Official Name

English

remibrutinib [INN]

Common Name

English

REMIBRUTINIB [USAN]

Common Name

English

N-(3-(6-AMINO-5-(2-(N-METHYLACRYLAMIDO)ETHOXY)PYRIMIDIN-4-YL)-5-FLUORO-2-METHYLPHENYL)-4-CYCLOPROPYL-2-FLUOROBENZAMIDE

Systematic Name

English

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Code System

Code

Type

Description

USAN

JK-247

PRIMARY

INN

11062

PRIMARY

FDA UNII

I7MVZ8HDNU

PRIMARY

NCI_THESAURUS

C175851

PRIMARY

CAS

1787294-07-8

PRIMARY

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SMILES

InChI

Approval Year

Cmax

AUC

T1/2

C_max

T_1/2