Laselipag

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H29N3O3
Molecular Weight	419.5161
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Laselipag

Structure Search

SMILES

CC(C)N(CCCCOCC(O)=O)C1=NC(C2=CC=CC=C2)=C(N=C1)C3=CC=CC=C3

InChI

InChIKey=OJQMKCBWYCWFPU-UHFFFAOYSA-N

InChI=1S/C25H29N3O3/c1-19(2)28(15-9-10-16-31-18-23(29)30)22-17-26-24(20-11-5-3-6-12-20)25(27-22)21-13-7-4-8-14-21/h3-8,11-14,17,19H,9-10,15-16,18H2,1-2H3,(H,29,30)

HIDE SMILES / InChI

Molecular Formula	C25H29N3O3
Molecular Weight	419.5161
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:06:53 GMT 2025` Edited by `admin` on `Mon Mar 31 23:06:53 GMT 2025`
Record UNII	E9PC7N0DID
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Laselipag

Official Name

English

ACT-333679

Preferred Name

English

2-[4-[(5,6-Diphenyl-2-pyrazinyl)(1-methylethyl)amino]butoxy]acetic acid

Systematic Name

English

Acetic acid, [4-[(5,6-diphenylpyrazinyl)(1-methylethyl)amino]butoxy]-

Systematic Name

English

MRE-269

Code

English

J2.120.976G

Code

English

2-(4-(ISOPROPYL(5,6-DIPHENYLPYRAZINE-2-YL)AMINO)BUTOXY)ACETIC ACID

Systematic Name

English

{4-[(5,6-diphenylpyrazin-2-yl)(propan-2-yl)amino]butoxy}acetic acid

Common Name

English

MRE269

Code

English

[4-[(5,6-Diphenylpyrazin-2-yl)(isopropyl)amino]butoxy]acetic acid

Systematic Name

English

laselipag [INN]

Common Name

English

Acetic acid, 2-[4-[(5,6-diphenyl-2-pyrazinyl)(1-methylethyl)amino]butoxy]-

Systematic Name

English

ACT333679

Code

English

Code System Code Type Description

INN

13135

Created by admin on Mon Mar 31 23:06:53 GMT 2025 , Edited by admin on Mon Mar 31 23:06:53 GMT 2025

PRIMARY

PUBCHEM

9931891

Created by admin on Mon Mar 31 23:06:53 GMT 2025 , Edited by admin on Mon Mar 31 23:06:53 GMT 2025

PRIMARY

SMS_ID

300000051197

Created by admin on Mon Mar 31 23:06:53 GMT 2025 , Edited by admin on Mon Mar 31 23:06:53 GMT 2025

PRIMARY

CAS

475085-57-5

Created by admin on Mon Mar 31 23:06:53 GMT 2025 , Edited by admin on Mon Mar 31 23:06:53 GMT 2025

PRIMARY

CHEBI

90848

Created by admin on Mon Mar 31 23:06:53 GMT 2025 , Edited by admin on Mon Mar 31 23:06:53 GMT 2025

PRIMARY

NCI_THESAURUS

C211768

Created by admin on Mon Mar 31 23:06:53 GMT 2025 , Edited by admin on Mon Mar 31 23:06:53 GMT 2025

PRIMARY

EPA CompTox

DTXSID801153092

Created by admin on Mon Mar 31 23:06:53 GMT 2025 , Edited by admin on Mon Mar 31 23:06:53 GMT 2025

PRIMARY

FDA UNII

E9PC7N0DID

Created by admin on Mon Mar 31 23:06:53 GMT 2025 , Edited by admin on Mon Mar 31 23:06:53 GMT 2025

PRIMARY

Related Record Type Details


					L0423Z5LDW

CYTOCHROME P450 2C8

METABOLIC ENZYME -> INHIBITOR

Qualification:

IC50

Amount:


					76UB6O122H

ATP-BINDING CASSETTE SUB-FAMILY G MEMBER 2

TRANSPORTER -> SUBSTRATE

Amount:


					66DDF797LP

OATP-8

TRANSPORTER -> INHIBITOR

Qualification:

IC50

Amount:


					ZWJ2Y6JZWY

OAT-3

TRANSPORTER -> INHIBITOR

Qualification:

IC50

Amount:


					L9DP834D1P

CYTOCHROME P450 2C9

METABOLIC ENZYME -> INHIBITOR

Qualification:

IC50

Amount:


					AIN96D6SGL

OATP1B1

TRANSPORTER -> INHIBITOR

Qualification:

IC50

Amount:


					76UB6O122H

ATP-BINDING CASSETTE SUB-FAMILY G MEMBER 2

TRANSPORTER -> INHIBITOR

Qualification:

IC50

Amount:


					66UL4XJJ3X

PROSTACYCLIN RECEPTOR

TARGET -> AGONIST

Comments:

ACT-333679 is 37-fold more potent than selexipag towards prostacyclin IP receptor.

Qualification:

IC50

Amount:

Related Record Type Details


					5EXC0E384L

Selexipag

PARENT -> METABOLITE ACTIVE

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC

Biological Half-life	PHARMACOKINETIC