G-36 - Moligand™, ≥99%(HPLC) , Antagonist of GPER, CAS No.1392487-51-2, Antagonist of GPER

CAS: 1392487-51-2 Cat. No.: G288800 Molecular Weight: 412.33

GRADE & PURITY Moligand™, ≥99%(HPLC)

Synonyms

(+/-)-(3aR*,4S*,9bS*)-4-(6-Bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-8-(1-methylethyl)-3H-cyclopenta[c]quinoline | SCHEMBL24203423 | G36 | G-36 | rel-(3aR,4S,9bS)-4-(6-Bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-8-(1-methylethyl)-3H-cyclopenta

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product description

G-36 is a cell permeable non-steroidal antagonist of G-protein-coupled estrogen receptor (GPER/GPR30) which selectively inhibits estrogen-mediated activation of PI3K by GPER, but not by ERα. G-36 also inhibits estrogen-mediated calcium mobilization (IC50=112 nM)

Specifications

Synonyms

(+/-)-(3aR*, 4S*, 9bS*)-4-(6-Bromo-1, 3-benzodioxol-5-yl)-3a, 4, 5, 9b-tetrahydro-8-(1-methylethyl)-3H-cyclopenta[c]quinoline | SCHEMBL24203423 | G36 | G-36 | rel-(3aR, 4S, 9bS)-4-(6-Bromo-1, 3-benzodioxol-5-yl)-3a, 4, 5, 9b-tetrahydro-8-(1-methylethyl)-3H-cyclopenta

Specifications & Purity

Moligand™, ≥99%(HPLC)

Biochemical and Physiological Mechanisms

Antagonist of GPER; selectively inhibits estrogen-mediated activation of PI3-K by GPER, but not by ERα. Also inhibits estrogen-mediated calcium mobilization (IC50= 112 nM). Structural analog ofG-1.

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

Antagonist of GPER

Purity

≥99%(HPLC)

Names and Identifiers

• Pubchem Sid: 504772349
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772349
• Canonical Smiles: CC(C)C1=CC2=C(C=C1)NC(C3C2C=CC3)C4=CC5=C(C=C4Br)OCO5
• IUPAC Name: (3aS,4R,9bR)-4-(6-bromo-1,3-benzodioxol-5-yl)-8-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
• InChIKey: QTOCPACSSHFGOY-ZCCHDVMBSA-N
• INCHI: 1S/C22H22BrNO2/c1-12(2)13-6-7-19-16(8-13)14-4-3-5-15(14)22(24-19)17-9-20-21(10-18(17)23)26-11-25-20/h3-4,6-10,12,14-15,22,24H,5,11H2,1-2H3/t14-,15+,22-/m1/s1
• Isomeric SMILES: CC(C)C1=CC2=C(C=C1)N[C@H]([C@@H]3[C@H]2C=CC3)C4=CC5=C(C=C4Br)OCO5
• Alternate CAS: 1392487-51-2
• Molecular Weight: 412.33
• Reaxy-Rn: 31657109
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31657109&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Hydroquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Hydroquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolines
• Alternative Parents: Benzodioxoles Secondary alkylarylamines Aralkylamines Benzenoids Aryl bromides Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetrahydroquinoline - Benzodioxole - Secondary aliphatic/aromatic amine - Aralkylamine - Aryl bromide - Aryl halide - Benzenoid - Acetal - Oxacycle - Secondary amine - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroquinolines. These are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms.
• 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)

GPER1 Tchem G-protein coupled estrogen receptor 1 (0 Activities)

Discover Target: GPER1

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

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 41.23, Max Conc. mM: 100
• Molecular Weight: 412.300 g/mol
• XLogP3: 6.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 411.083 Da
• Monoisotopic Mass: 411.083 Da
• Topological Polar Surface Area: 30.500 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 552.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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