Zelenirstat

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H30Cl2N6O2S
Molecular Weight	537.505
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)CC1=NN(C)C(C)=C1NS(=O)(=O)C2=C(Cl)C=C(C=C2Cl)C3=CC=NC(=C3)N4CCNCC4

InChI

InChIKey=WKTSLVQYGBHNRV-UHFFFAOYSA-N

InChI=1S/C24H30Cl2N6O2S/c1-15(2)11-21-23(16(3)31(4)29-21)30-35(33,34)24-19(25)12-18(13-20(24)26)17-5-6-28-22(14-17)32-9-7-27-8-10-32/h5-6,12-15,27,30H,7-11H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C24H30Cl2N6O2S
Molecular Weight	537.505
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
1767 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/38837078/	210 mg single, oral dose: 210 mg route of administration: Oral experiment type: SINGLE co-administered:		PCLX-001 plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
2935 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/38837078/	210 mg 1 times / day multiple, oral dose: 210 mg route of administration: Oral experiment type: MULTIPLE co-administered:		PCLX-001 plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

AUC

Value	Dose	Co-administered	Analyte	Population
14654 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/38837078/	210 mg single, oral dose: 210 mg route of administration: Oral experiment type: SINGLE co-administered:		PCLX-001 plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
27558 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/38837078/	210 mg 1 times / day multiple, oral dose: 210 mg route of administration: Oral experiment type: MULTIPLE co-administered:		PCLX-001 plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

T_1/2

Value	Dose	Co-administered	Analyte	Population
7.8 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/38837078/	210 mg single, oral dose: 210 mg route of administration: Oral experiment type: SINGLE co-administered:		PCLX-001 plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
7.7 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/38837078/	210 mg 1 times / day multiple, oral dose: 210 mg route of administration: Oral experiment type: MULTIPLE co-administered:		PCLX-001 plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

Substance Class	Chemical Created by `admin` on `Wed Apr 02 15:20:38 GMT 2025` Edited by `admin` on `Wed Apr 02 15:20:38 GMT 2025`
Record UNII	5HY8BYC3Q6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CCI-002

Preferred Name

English

Zelenirstat

Official Name

English

2,6-Dichloro-N-[1,5-dimethyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]-4-[2-(1-piperazinyl)-4-pyridinyl]benzenesulfonamide

Systematic Name

English

Benzenesulfonamide, 2,6-dichloro-N-[1,5-dimethyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]-4-[2-(1-piperazinyl)-4-pyridinyl]-

Systematic Name

English

PCLX 001 [WHO-DD]

Common Name

English

PCLX-001

Code

English

DDD86481

Code

English

2,6-dichloro-N-[1,5-dimethyl-3-(2-methylpropyl)-1Hpyrazol-4-yl]-4-[2-(piperazin-1-yl)pyridin-4-yl]benzene-1-sulfonamide

Systematic Name

English

DDD-86481

Code

English

zelenirstat [INN]

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

904722