PKG drug G1 - ≥98% , CAS No.374703-78-3

CAS: 374703-78-3 Cat. No.: P412207 Formule: C₁₃H₁₁N₃OS Poids moléculaire: 257.31 PubChem CID: 135402990

QUALITÉ & PURETÉ ≥98%

Synonyms

4-​Imidazolidinone,5-​[(2-​methyl-​1H-​indol-​3-​yl)​methylene]​-​2-​thioxo-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Information

PKG drug G1 PKG drug G1 is an activater of Protein Kinase G Iα (PKG Iα) targeting C42, resulting vasodilation and blood pressure lowering.

Targets

PKG Iα

Spécifications

Synonymes

4-​Imidazolidinone,5-​[(2-​methyl-​1H-​indol-​3-​yl)​methylene]​-​2-​thioxo-

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

PKG drug G1 is an activater of Protein Kinase G Iα (PKG Iα) targeting C42, resulting vasodilation and blood pressure lowering.

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.

Pureté

≥98%

Propriétés du produit

ALogP

2.269

Nombre de HBD

3

Liaison rotative

1

Noms et identifiants

Pubchem Sid

504773262

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504773262

Sourires canoniques

CC1=NC2=CC=CC=C2C1=CC3=C(NC(=S)N3)O

IUPAC Name

4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-dihydroimidazole-2-thione

InChIKey

BPJCCABLAZZIEJ-RMKNXTFCSA-N

INCHI

1S/C13H11N3OS/c1-7-9(6-11-12(17)16-13(18)15-11)8-4-2-3-5-10(8)14-7/h2-6,17H,1H3,(H2,15,16,18)/b9-6+

Isomères SMILES

CC\1=NC2=CC=CC=C2/C1=C/C3=C(NC(=S)N3)O

PubChem CID

135402990

Poids moléculaire

257.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles and derivatives
• Alternative Parents: Imidazolethiones Benzenoids Imidazoles Heteroaromatic compounds Thioureas Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole or derivatives - Benzenoid - Imidazole-2-thione - Heteroaromatic compound - Imidazole - Azole - Thiourea - Ketimine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Imine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.
• 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solubility (25°C) In vitro DMSO: 51 mg/mL (198.2 mM); Ethanol: 4 mg/mL (15.54 mM); Water: Insoluble
• DMSO (mg/mL) Solubilité maximale: 51
• DMSO (mM) Solubilité maximale: 198.204500408068
• Eau (mg/mL) Solubilité maximale: ＜1
• Poids moléculaire: 257.310 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 257.062 Da
• Monoisotopic Mass: 257.062 Da
• Topological Polar Surface Area: 88.700 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 492.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• 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 374703-78-3, the molecular formula is C13H11N3OS, and the molecular weight is 257.31 g/mol. InChIKey BPJCCABLAZZIEJ-RMKNXTFCSA-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.