G150 - ≥98% , CAS No.2369751-30-2

CAS: 2369751-30-2 Cat. No.: G414285 Molecular Weight: 391.25

GRADE & PURITY ≥98%

Synonyms

1-(9-(6-Aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-2-hydroxyethan-1-one | 1-​[9-​(6-​Amino-​3-​pyridinyl)​-​6,​7-​dichloro-​1,​3,​4,​5-​tetrahydro-​2H-​pyrido[4,​3-​b]​indol-​2-​yl]​-​2-​hydroxy-ethanone

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

G150 G150 is a potent and highly selective human cyclic GMP-AMP synthase (cGAS) inhibitor with IC50 of 10.2 nM.

Targets

h-cGAS (Cell-free assay) 10.2 nM

In vitro

The most potent h-cGAS-specific derivative with 2-amino pyridine (G150) shows inhibitory activity in THP1 cells and primary human macrophages while a complete absence of off-target effect on a diverse range of sensors. G150 also shows no substantial cellular toxicity.

Cell Research(from reference)

Cell lines：THP1 cells, primary macrophage cells 

Concentrations：10 μM and 5 μM 

Incubation Time：1 h 

Specifications

Synonyms

1-(9-(6-Aminopyridin-3-yl)-6, 7-dichloro-1, 3, 4, 5-tetrahydro-2H-pyrido[4, 3-b]indol-2-yl)-2-hydroxyethan-1-one | 1-​[9-​(6-​Amino-​3-​pyridinyl)​-​6, ​7-​dichloro-​1, ​3, ​4, ​5-​tetrahydro-​2H-​pyrido[4, ​3-​b]​indol-​2-​yl]​-​2-​hydroxy-ethanone

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

G150 is a potent and highly selective human cyclic GMP-AMP synthase (cGAS) inhibitor with IC50 of 10.2 nM.

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

INHIBITOR

Purity

≥98%

Product Properties

• ALogP: 2.353
• hba_count: 2
• HBD Count: 3
• Rotatable Bond: 2

Names and Identifiers

• Pubchem Sid: 504773531
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773531
• Canonical Smiles: C1CN(CC2=C1NC3=C2C(=CC(=C3Cl)Cl)C4=CN=C(C=C4)N)C(=O)CO
• IUPAC Name: 1-[9-(6-aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-hydroxyethanone
• InChIKey: VVUOUIPXYFIWLE-UHFFFAOYSA-N
• INCHI: 1S/C18H16Cl2N4O2/c19-12-5-10(9-1-2-14(21)22-6-9)16-11-7-24(15(26)8-25)4-3-13(11)23-18(16)17(12)20/h1-2,5-6,23,25H,3-4,7-8H2,(H2,21,22)
• Isomeric SMILES: C1CN(CC2=C1NC3=C2C(=CC(=C3Cl)Cl)C4=CN=C(C=C4)N)C(=O)CO
• Molecular Weight: 391.25
• Reaxy-Rn: 34901597
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34901597&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 3-alkylindoles
• Alternative Parents: Aminopyridines and derivatives Imidolactams Benzenoids Aryl chlorides Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Primary amines Primary alcohols Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-alkylindole - Aminopyridine - Imidolactam - Benzenoid - Pyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Amine - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
• 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)

CGAS Tchem Cyclic GMP-AMP synthase (1 Activities)

Discover Target: CGAS

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

THP-1 (11052 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

RAW264.7 (28094 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 78 mg/mL (199.36 mM); Ethanol: 1.5 mg/mL (3.83 mM); Water: Insoluble
• DMSO(mg / mL) Max Solubility: 78
• DMSO(mM) Max Solubility: 199.361022364217
• Water(mg / mL) Max Solubility: ＜1
• Molecular Weight: 391.200 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 390.065 Da
• Monoisotopic Mass: 390.065 Da
• Topological Polar Surface Area: 95.200 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 539.000
• 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