linzagolix - Moligand™, ≥98% , Gonadotropin-releasing hormone receptor antagonist, CAS No.935283-04-8, Gonadotropin-releasing hormone receptor antagonist

CAS: 935283-04-8 Cat. No.: L611541 Formula: C₂₂H₁₅F₃N₂O₇S Molecular Weight: 508.4 PubChem CID: 16656889

GRADE & PURITY Moligand™, ≥98%

Synonyms

3-(5-((2,3-difluoro-6-methoxyphenyl)methoxy)-2-fluoro-4-methoxyphenyl)-2,4-dioxo-1H-thieno(3,4-d)pyrimidine-5-carboxylic acid | SCHEMBL2333748 | DTXSID801337395 | BDBM160329 | Linzagolix [USAN] | Yselty | KLH 2109 | Linzagolix [USAN:INN] | 3-(5-((2,3-DIFL

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Linzagolix (KLH-2109; OBE-2109) is a potent, non-peptide, and active GnRH antagonist. Linzagolix can be used for uterine fibroids, endometriosis, adenomyosis research.

Specifications

Synonyms

3-(5-((2,3-difluoro-6-methoxyphenyl)methoxy)-2-fluoro-4-methoxyphenyl)-2,4-dioxo-1H-thieno(3,4-d)pyrimidine-5-carboxylic acid | SCHEMBL2333748 | DTXSID801337395 | BDBM160329 | Linzagolix [USAN] | Yselty | KLH 2109 | Linzagolix [USAN:INN] | 3-(5-((2,3-DIFL

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Gonadotropin-releasing hormone receptor antagonist

Purity

≥98%

Product Properties

• ALogP: 3.4

Names and Identifiers

• Canonical Smiles: COc1c(c(c(cc1)F)F)COc1c(cc(c(c1)n1c(=O)c2c(scc2[nH]c1=O)C(=O)O)F)OC
• IUPAC Name: 3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-2,4-dioxo-1H-thieno[3,4-d]pyrimidine-5-carboxylic acid
• InChIKey: BMAAMIIYNNPHAB-UHFFFAOYSA-N
• INCHI: 1S/C22H15F3N2O7S/c1-32-14-4-3-10(23)18(25)9(14)7-34-16-6-13(11(24)5-15(16)33-2)27-20(28)17-12(26-22(27)31)8-35-19(17)21(29)30/h3-6,8H,7H2,1-2H3,(H,26,31)(H,29,30)
• Isomeric SMILES: COC1=C(C(=C(C=C1)F)F)COC2=C(C=C(C(=C2)N3C(=O)C4=C(SC=C4NC3=O)C(=O)O)F)OC
• PubChem CID: 16656889
• Molecular Weight: 508.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Thienopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Thienopyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thienopyrimidines
• Alternative Parents: Methoxyanilines Anisoles Methoxybenzenes Phenoxy compounds Thiophene carboxylic acids Alkyl aryl ethers Fluorobenzenes Pyrimidones Aryl fluorides Vinylogous amides Heteroaromatic compounds Lactams Ureas Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thienopyrimidine - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Thiophene carboxylic acid - Thiophene carboxylic acid or derivatives - Methoxybenzene - Alkyl aryl ether - Fluorobenzene - Halobenzene - Pyrimidone - Benzenoid - Aryl fluoride - Pyrimidine - Aryl halide - Monocyclic benzene moiety - Thiophene - Heteroaromatic compound - Vinylogous amide - Urea - Lactam - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Organohalogen compound - Organofluoride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

GNRHR Tclin Gonadotropin-releasing hormone receptor (1 Activities)

Discover Target: GNRHR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 508.400 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 508.055 Da
• Monoisotopic Mass: 508.055 Da
• Topological Polar Surface Area: 143.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 826.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 935283-04-8, the molecular formula is C22H15F3N2O7S, and the molecular weight is 508.4 g/mol. InChIKey BMAAMIIYNNPHAB-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.