GnRH antagonist 2 - ≥98% , CAS No.1709823-61-9

CAS: 1709823-61-9 Cat. No.: G650938 Molecular Weight: 607.57 PubChem CID: 91755013

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

GnRH antagonist 2 (formula I) is a GnRH receptor antagonist that can be used for endometriosis research.

Form:Solid

Specifications

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

GnRH antagonist 2 (formula I) is a GnRH receptor antagonist that can be used for endometriosis research.

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.

Action Type

ANTAGONIST

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CN(C)CC1=C2C(=NN1C3=CC=C(C=C3)NC(=O)NOC)N(C(=O)N(C2=O)C4=NN=C(C=C4)OC)CC5=C(C=CC=C5F)F
• IUPAC Name: 1-[4-[7-[(2,6-difluorophenyl)methyl]-3-[(dimethylamino)methyl]-5-(6-methoxypyridazin-3-yl)-4,6-dioxopyrazolo[3,4-d]pyrimidin-2-yl]phenyl]-3-methoxyurea
• InChIKey: IMJPTZZFUZNJLV-UHFFFAOYSA-N
• INCHI: 1S/C28H27F2N9O5/c1-36(2)15-21-24-25(34-39(21)17-10-8-16(9-11-17)31-27(41)35-44-4)37(14-18-19(29)6-5-7-20(18)30)28(42)38(26(24)40)22-12-13-23(43-3)33-32-22/h5-13H,14-15H2,1-4H3,(H2,31,35,41)
• Isomeric SMILES: CN(C)CC1=C2C(=NN1C3=CC=C(C=C3)NC(=O)NOC)N(C(=O)N(C2=O)C4=NN=C(C=C4)OC)CC5=C(C=CC=C5F)F
• PubChem CID: 91755013
• Molecular Weight: 607.57

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Xanthines
• Alternative Parents: Phenylpyrazoles N-phenylureas Alkaloids and derivatives Pyrazolo[3,4-d]pyrimidines Alkyl aryl ethers Aralkylamines Pyrimidones Fluorobenzenes Aryl fluorides Pyridazines and derivatives Heteroaromatic compounds Vinylogous amides Lactams Ureas Trialkylamines Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organofluorides Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpyrazole - Xanthine - N-phenylurea - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - Alkaloid or derivatives - Alkyl aryl ether - Fluorobenzene - Halobenzene - Pyrimidone - Aralkylamine - Aryl fluoride - Pyrimidine - Pyridazine - Aryl halide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Pyrazole - Vinylogous amide - Azole - Urea - Tertiary aliphatic amine - Tertiary amine - Lactam - Azacycle - Ether - Hydrocarbon derivative - Amine - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
• 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

Chemical and Physical Properties

• Solubility: DMSO : 150 mg/mL (246.89 mM; ultrasonic and warming and heat to 60°C)