VALEMETOSTAT TOSYLATE

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H34ClN3O4.C7H8O3S
Molecular Weight	660.22
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.CN(C)[C@H]2CC[C@@H](CC2)[C@@]3(C)OC4=C(Cl)C=C(C(=O)NCC5=C(C)C=C(C)NC5=O)C(C)=C4O3

InChI

InChIKey=JSBKGJUYSLVFPF-WJQUPPJOSA-N

InChI=1S/C26H34ClN3O4.C7H8O3S/c1-14-11-15(2)29-25(32)20(14)13-28-24(31)19-12-21(27)23-22(16(19)3)33-26(4,34-23)17-7-9-18(10-8-17)30(5)6;1-6-2-4-7(5-3-6)11(8,9)10/h11-12,17-18H,7-10,13H2,1-6H3,(H,28,31)(H,29,32);2-5H,1H3,(H,8,9,10)/t17-,18-,26-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C26H34ClN3O4
Molecular Weight	488.019
Charge	0
Count

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

Molecular Formula	C7H8O3S
Molecular Weight	172.202
Charge	0
Count

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

Approval Year

C_max

Value	Dose	Co-administered	Analyte	Population
1500 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/37565616/	200 mg 1 times / day multiple, oral dose: 200 mg route of administration: Oral experiment type: MULTIPLE co-administered:		VALEMETOSTAT plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: HIGH-FAT
2230 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36150143/	200 mg single, oral dose: 200 mg route of administration: Oral experiment type: SINGLE co-administered:		VALEMETOSTAT plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED

AUC

Value	Dose	Co-administered	Analyte	Population
10800 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/37565616/	200 mg 1 times / day multiple, oral dose: 200 mg route of administration: Oral experiment type: MULTIPLE co-administered:		VALEMETOSTAT plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: HIGH-FAT
18100 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36150143/	200 mg single, oral dose: 200 mg route of administration: Oral experiment type: SINGLE co-administered:		VALEMETOSTAT plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED

T_1/2

Value	Dose	Co-administered	Analyte	Population
20.4 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/37565616/	200 mg 1 times / day multiple, oral dose: 200 mg route of administration: Oral experiment type: MULTIPLE co-administered:		VALEMETOSTAT plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: HIGH-FAT
9.46 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36150143/	200 mg single, oral dose: 200 mg route of administration: Oral experiment type: SINGLE co-administered:		VALEMETOSTAT plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED

F_unbound

Value	Dose	Co-administered	Analyte	Population
10% EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/37565616/	200 mg 1 times / day multiple, oral dose: 200 mg route of administration: Oral experiment type: MULTIPLE co-administered:		VALEMETOSTAT plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: HIGH-FAT

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:51:11 GMT 2025` Edited by `admin` on `Tue Apr 01 19:51:11 GMT 2025`
Record UNII	6N79I7X5II
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VALEMETOSTAT TOSYLATE

Common Name

English

VALEMETOSTAT TOSILATE

Preferred Name

English

1,3-BENZODIOXOLE-5-CARBOXAMIDE, 7-CHLORO-N-((1,2-DIHYDRO-4,6-DIMETHYL-2-OXO-3-PYRIDINYL)METHYL)-2-(TRANS-4-(DIMETHYLAMINO)CYCLOHEXYL)-2,4-DIMETHYL-, (2R)-, COMPD. WITH 4-METHYLBENZENESULFONATE (1:1)

Systematic Name

English

Valemetostat tosilate [WHO-DD]

Common Name

English

VALEMETOSTAT TOSILATE [JAN]

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

850021