GLPG1205

Synopsis, Chemistry

DEVELOPMENTS

2 Drug(s) in Development

2 Drug(s) in Development

DIGITAL CONTENT

2 News

2 News

Product Search

API SUPPLIERS

API Suppliers

US DMFs Filed

CEP/COS Certifications

JDMFs Filed

Other Certificates

Other Suppliers

API REF. PRICE (USD / KG)

API Market Place

INTERMEDIATES

DOSSIERS // FDF

USA (Orange Book)

Europe

Canada

Australia

South Africa

Uploaded Dossiers

GLOBAL SALES (USD Million)

U.S. Medicaid

Annual Reports

FDF Market Place

EXCIPIENTS

PATENTS & EXCLUSIVITIES

USFDA Orange Book Patents

USFDA Exclusivities

DIGITAL CONTENT

Blog #PharmaFlow

News

REF STANDARD

EDQM

USP

Other Listed Suppliers

SERVICES

Also known as: Glpg1205, Glpg-1205, 1445847-37-9, K9wr6lra5d, 9-(2-cyclopropylethynyl)-2-[[(2s)-1,4-dioxan-2-yl]methoxy]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one, (s)-2-((1,4-dioxan-2-yl)methoxy)-9-(cyclopropylethynyl)-6,7-dihydro-4h-pyrimido[6,1-a]isoquinolin-4-one

Molecular Formula

C₂₂H₂₂N₂O₄

Molecular Weight

378.4 g/mol

InChI Key

IRBAWVGZNJIROV-SFHVURJKSA-N

FDA UNII

K9WR6LRA5D

GLPG-1205 is under investigation in clinical trial NCT03725852 (A Clinical Study to Test How Effective and Safe GLPG1205 is for Patients With Idiopathic Pulmonary Fibrosis (IPF)).

1 2D Structure

GLPG1205

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

9-(2-cyclopropylethynyl)-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

2.1.2 InChI

InChI=1S/C22H22N2O4/c25-22-23-21(28-14-18-13-26-9-10-27-18)12-20-19-6-5-16(4-3-15-1-2-15)11-17(19)7-8-24(20)22/h5-6,11-12,15,18H,1-2,7-10,13-14H2/t18-/m0/s1

2.1.3 InChI Key

IRBAWVGZNJIROV-SFHVURJKSA-N

2.1.4 Canonical SMILES

C1CC1C#CC2=CC3=C(C=C2)C4=CC(=NC(=O)N4CC3)OCC5COCCO5

2.1.5 Isomeric SMILES

C1CC1C#CC2=CC3=C(C=C2)C4=CC(=NC(=O)N4CC3)OC[C@@H]5COCCO5

2.2 Other Identifiers

2.2.1 UNII

K9WR6LRA5D

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 9-cyclopropylethynyl-2-((s)-1-(1,4)dioxan-2-ylmethoxy)-6,7-dihydropyrimido(6,1-a)isoquinolin-4-one

2. Glpg1205

2.3.2 Depositor-Supplied Synonyms

1. Glpg1205

2. Glpg-1205

3. 1445847-37-9

4. K9wr6lra5d

5. 9-(2-cyclopropylethynyl)-2-[[(2s)-1,4-dioxan-2-yl]methoxy]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

6. (s)-2-((1,4-dioxan-2-yl)methoxy)-9-(cyclopropylethynyl)-6,7-dihydro-4h-pyrimido[6,1-a]isoquinolin-4-one

7. Unii-k9wr6lra5d

8. Chembl3716365

9. Schembl15051377

10. Gtpl10171

11. Bdbm50548385

12. At30151

13. Db15346

14. Compound 122 [wo2013092791a1]

15. Hy-135303

16. Cs-0110898

2.4 Create Date

2013-07-29

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₂₂N₂O₄
Molecular Weight	378.4 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	378.15795719 g/mol
Monoisotopic Mass	378.15795719 g/mol
Topological Polar Surface Area	60.4 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	757
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1