G150 - ≥98% , CAS No.2369751-30-2

CAS: 2369751-30-2 Cat. No.: G414285 Formule: C₁₈H₁₆Cl₂N₄O₂ Poids moléculaire: 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Pureté

≥98%

Propriétés du produit

ALogP

2.353

hba_count

2

Nombre de HBD

3

Liaison rotative

2

Noms et identifiants

Pubchem Sid

504773531

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504773531

Sourires canoniques

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)

Isomères SMILES

C1CN(CC2=C1NC3=C2C(=CC(=C3Cl)Cl)C4=CN=C(C=C4)N)C(=O)CO

Poids moléculaire

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
    • Classe Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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

Cibles associées (humaines)

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

Cibles associées (non humaines)

RAW264.7 (28094 Activities)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: 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) Solubilité maximale: 78
• DMSO (mM) Solubilité maximale: 199.361022364217
• Eau (mg/mL) Solubilité maximale: ＜1
• Poids moléculaire: 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

Foire aux 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.

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 2369751-30-2, the molecular formula is C18H16Cl2N4O2, and the molecular weight is 391.25 g/mol. InChIKey VVUOUIPXYFIWLE-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.