TROPIFEXOR

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H25F4N3O5S
Molecular Weight	603.585
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C1=CC2=C(N=C(S2)N3[C@H]4CC[C@@H]3C[C@@H](C4)OCC5=C(ON=C5C6=CC=CC=C6OC(F)(F)F)C7CC7)C(F)=C1

InChI

InChIKey=VYLOOGHLKSNNEK-PIIMJCKOSA-N

InChI=1S/C29H25F4N3O5S/c30-21-9-15(27(37)38)10-23-25(21)34-28(42-23)36-16-7-8-17(36)12-18(11-16)39-13-20-24(35-41-26(20)14-5-6-14)19-3-1-2-4-22(19)40-29(31,32)33/h1-4,9-10,14,16-18H,5-8,11-13H2,(H,37,38)/t16-,17+,18+

HIDE SMILES / InChI

Molecular Formula	C29H25F4N3O5S
Molecular Weight	603.585
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

C_max

Value	Dose	Analyte	Population
1.04 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36267872/	30 μg single, oral dose: 30 μg route of administration: Oral experiment type: SINGLE co-administered:	TROPIFEXOR plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
1.25 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36267872/	30 μg 1 times / day steady-state, oral dose: 30 μg route of administration: Oral experiment type: STEADY-STATE co-administered:	TROPIFEXOR plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
1.8 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36267872/	60 μg single, oral dose: 60 μg route of administration: Oral experiment type: SINGLE co-administered:	TROPIFEXOR plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
2.55 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36267872/	60 μg 1 times / day steady-state, oral dose: 60 μg route of administration: Oral experiment type: STEADY-STATE co-administered:	TROPIFEXOR plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
2.37 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36267872/	90 μg single, oral dose: 90 μg route of administration: Oral experiment type: SINGLE co-administered:	TROPIFEXOR plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
4.3 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36267872/	90 μg 1 times / day steady-state, oral dose: 90 μg route of administration: Oral experiment type: STEADY-STATE co-administered:	TROPIFEXOR plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
4.84 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36267872/	150 μg single, oral dose: 150 μg route of administration: Oral experiment type: SINGLE co-administered:	TROPIFEXOR plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
6.37 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36267872/	150 μg 1 times / day steady-state, oral dose: 150 μg route of administration: Oral experiment type: STEADY-STATE co-administered:	TROPIFEXOR plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
0.19 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36267872/	10 μg single, oral dose: 10 μg route of administration: Oral experiment type: SINGLE co-administered:	TROPIFEXOR plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED
0.63 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36267872/	30 μg single, oral dose: 30 μg route of administration: Oral experiment type: SINGLE co-administered:	TROPIFEXOR plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED
1.7 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36267872/	100 μg single, oral dose: 100 μg route of administration: Oral experiment type: SINGLE co-administered:	TROPIFEXOR plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED
6.4 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36267872/	300 μg single, oral dose: 300 μg route of administration: Oral experiment type: SINGLE co-administered:	TROPIFEXOR plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED
10.4 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36267872/	300 μg single, oral dose: 300 μg route of administration: Oral experiment type: SINGLE co-administered:	TROPIFEXOR plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED
22.1 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36267872/	1000 μg single, oral dose: 1000 μg route of administration: Oral experiment type: SINGLE co-administered:	TROPIFEXOR plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED
54.2 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36267872/	3000 μg single, oral dose: 3000 μg route of administration: Oral experiment type: SINGLE co-administered:	TROPIFEXOR plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED
3.42 ng/mL OTHER https://www.postersessiononline.eu/173580348_eu/congresos/ILC2021/aula/-PO_534_ILC2021.pdf	200 μg single, oral dose: 200 μg route of administration: Oral experiment type: SINGLE co-administered:	TROPIFEXOR plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED

AUC

Value	Dose	Analyte	Population
4.98 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36267872/	30 μg single, oral dose: 30 μg route of administration: Oral experiment type: SINGLE co-administered:	TROPIFEXOR plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
7.95 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36267872/	30 μg 1 times / day steady-state, oral dose: 30 μg route of administration: Oral experiment type: STEADY-STATE co-administered:	TROPIFEXOR plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
12.1 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36267872/	60 μg single, oral dose: 60 μg route of administration: Oral experiment type: SINGLE co-administered:	TROPIFEXOR plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
17.6 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36267872/	60 μg 1 times / day steady-state, oral dose: 60 μg route of administration: Oral experiment type: STEADY-STATE co-administered:	TROPIFEXOR plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
23.4 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36267872/	90 μg 1 times / day steady-state, oral dose: 90 μg route of administration: Oral experiment type: STEADY-STATE co-administered:	TROPIFEXOR plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
24.5 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36267872/	150 μg single, oral dose: 150 μg route of administration: Oral experiment type: SINGLE co-administered:	TROPIFEXOR plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
44.2 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36267872/	150 μg 1 times / day steady-state, oral dose: 150 μg route of administration: Oral experiment type: STEADY-STATE co-administered:	TROPIFEXOR plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
3.39 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36267872/	10 μg single, oral dose: 10 μg route of administration: Oral experiment type: SINGLE co-administered:	TROPIFEXOR plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED
13.4 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36267872/	30 μg single, oral dose: 30 μg route of administration: Oral experiment type: SINGLE co-administered:	TROPIFEXOR plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED
37.9 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36267872/	100 μg single, oral dose: 100 μg route of administration: Oral experiment type: SINGLE co-administered:	TROPIFEXOR plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED
123 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36267872/	300 μg single, oral dose: 300 μg route of administration: Oral experiment type: SINGLE co-administered:	TROPIFEXOR plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED
203 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36267872/	300 μg single, oral dose: 300 μg route of administration: Oral experiment type: SINGLE co-administered:	TROPIFEXOR plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED
482 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36267872/	1000 μg single, oral dose: 1000 μg route of administration: Oral experiment type: SINGLE co-administered:	TROPIFEXOR plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED
933 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36267872/	3000 μg single, oral dose: 3000 μg route of administration: Oral experiment type: SINGLE co-administered:	TROPIFEXOR plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED
73.8 ng × h/mL OTHER https://www.postersessiononline.eu/173580348_eu/congresos/ILC2021/aula/-PO_534_ILC2021.pdf	200 μg single, oral dose: 200 μg route of administration: Oral experiment type: SINGLE co-administered:	TROPIFEXOR plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED

T_1/2

Value	Dose	Analyte	Population
14.9 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36267872/	10 μg single, oral dose: 10 μg route of administration: Oral experiment type: SINGLE co-administered:	TROPIFEXOR plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED
13.7 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36267872/	30 μg single, oral dose: 30 μg route of administration: Oral experiment type: SINGLE co-administered:	TROPIFEXOR plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED
13.5 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36267872/	100 μg single, oral dose: 100 μg route of administration: Oral experiment type: SINGLE co-administered:	TROPIFEXOR plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED
15.3 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36267872/	300 μg single, oral dose: 300 μg route of administration: Oral experiment type: SINGLE co-administered:	TROPIFEXOR plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED
12 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36267872/	300 μg single, oral dose: 300 μg route of administration: Oral experiment type: SINGLE co-administered:	TROPIFEXOR plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED
21.9 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36267872/	1000 μg single, oral dose: 1000 μg route of administration: Oral experiment type: SINGLE co-administered:	TROPIFEXOR plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED
16.5 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36267872/	3000 μg single, oral dose: 3000 μg route of administration: Oral experiment type: SINGLE co-administered:	TROPIFEXOR plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED

F_unbound

Value	Dose	Co-administered	Analyte	Population
0.13% OTHER https://www.postersessiononline.eu/173580348_eu/congresos/ILC2021/aula/-PO_534_ILC2021.pdf	200 μg single, oral dose: 200 μg route of administration: Oral experiment type: SINGLE co-administered:		TROPIFEXOR plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:09:47 GMT 2025` Edited by `admin` on `Mon Mar 31 22:09:47 GMT 2025`
Record UNII	NMZ08KM76Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TROPIFEXOR

Official Name

English

tropifexor [INN]

Preferred Name

English

LJN452

Code

English

LJN-452

Code

English

2-((1R,3R,5S)-3-((5-CYCLOPROPYL-3-(2-(TRIFLUOROMETHOXY)PHENYL)-1,2-OXAZOL-4-YL)METHOXY)-8- AZABICYCLO(3.2.1)OCTAN-8-YL)-4-FLUORO-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID

Systematic Name

English

Tropifexor [WHO-DD]

Common Name

English

NVP-LJN452-NXA

Code

English

6-BENZOTHIAZOLECARBOXYLIC ACID, 2-((3-ENDO)-3-((5-CYCLOPROPYL-3-(2- (TRIFLUOROMETHOXY)PHENYL)-4-ISOXAZOLYL)METHOXY)-8-AZABICYCLO(3.2.1)OCT-8- YL)-4-FLUORO-

Systematic Name

English

TROPIFEXOR [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C78276