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

CAS: 374703-78-3 Cat. No.: P412207 Formula: C₁₃H₁₁N₃OS Peso molecolare: 257.31 PubChem CID: 135402990

QUALITÀ & PUREZZA ≥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

Panoramica

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

Specifiche

Sinonimi

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

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

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

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Proprietà del prodotto

ALogP

2.269

Conteggio HBD

3

Legame rotabile

1

Nomi e identificatori

Pubchem Sid

504773262

Pubchem Sid Url

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

Sorrisi canonici

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+

Isomeri SMILES

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

PubChem CID

135402990

Peso molecolare

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
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solubility (25°C) In vitro DMSO: 51 mg/mL (198.2 mM); Ethanol: 4 mg/mL (15.54 mM); Water: Insoluble
• DMSO (mg/mL) Solubilità massima: 51
• DMSO (mM) Solubilità massima: 198.204500408068
• Acqua (mg/mL) Solubilità massima: ＜1
• Peso molecolare: 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

Domande frequenti

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.