Opigolix

CAT: 0804-HY-U00289-03Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0804-HY-U00289-03Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

Description

Opigolix (ASP-1707) is a Gonadotropin-releasing hormone (GnRH) receptor antagonist, used for the research of endometriosis and rheumatoid arthritis.

CAS Number

912587-25-8

Product Name Alternative

ASP-1707

UNSPSC

12352005

Target

GnRH Receptor

Type

Reference compound

Related Pathways

GPCR/G Protein

Applications

Metabolism-protein/nucleotide metabolism

Field of Research

Inflammation/Immunology; Endocrinology

Assay Protocol

https://www.medchemexpress.com/opigolix.html

Solubility

10 mM in DMSO

Smiles

O=C(C1=CC(S(NC([C@H](O)C)=N)(=O)=O)=C(F)C=C1)/C(C(C2=C(C=CC(F)=C2)F)=O)=C3NC4=CC=CC=C4N\3

Molecular Formula

C25H19F3N4O5S

Molecular Weight

544.50

References & Citations

[1]Hirano, Masaaki, et al. PROPANE-1,3-DION DERIVATIVE OR SALT THEREOF. WO 2006106812 A1.

Shipping Conditions

Room temperature

Scientific Category

Reference compound1

Clinical Information

Phase 2

Chemical Information

Opigolix

See also: Opigolix (annotation moved to).

CAS Number	912587-25-8
PubChem CID	135565248
IUPAC Name	(2R)-N'-[5-[(Z)-2-(1H-benzimidazol-2-yl)-3-(2,5-difluorophenyl)-1-hydroxy-3-oxoprop-1-enyl]-2-fluorophenyl]sulfonyl-2-hydroxypropanimidamide
Molecular Formula	C25H19F3N4O5S
Molecular Weight	544.5
XLogP	3.6
Topological Polar Surface Area	167
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	7
Heavy Atom Count	38
Formal Charge	0
Complexity	1050

SMILES

C[C@H](/C(=N/S(=O)(=O)C1=C(C=CC(=C1)/C(=C(\C2=NC3=CC=CC=C3N2)/C(=O)C4=C(C=CC(=C4)F)F)/O)F)/N)O

InChI

InChI=1S/C25H19F3N4O5S/c1-12(33)24(29)32-38(36,37)20-10-13(6-8-17(20)28)22(34)21(23(35)15-11-14(26)7-9-16(15)27)25-30-18-4-2-3-5-19(18)31-25/h2-12,33-34H,1H3,(H2,29,32)(H,30,31)/b22-21+/t12-/m1/s1

InChIKey

QLLWADSMMMNRDJ-AFRFTAIISA-N

Chemical Structure

2D Structure

CAS: 912587-25-8

CID: 135565248

Formula: C25H19F3N4O5S

MW: 544.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	544.5
XLogP3	3.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	7
Exact Mass	544.10282538
Monoisotopic Mass	544.10282538
Topological Polar Surface Area	167 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	1050
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19202889-01	Opigolix

Opigolix

Chemical Information

Alternative Products

Popular Products