BGP 15 - ≥98% , CAS No.66611-37-8

CAS: 66611-37-8 Cat. No.: B286640 Fórmula: C₁₄H₂₂N₄O₂•2HCl Peso molecular: 351.27 Número CE: 684-602-4

GRADE & PURITY ≥98%

Synonyms

s8370 | 3-Pyridinecarboximidamide, N-(2-hydroxy-3-(1-piperidinyl)propoxy)-, dihydrochloride | BGP-15, >=98% (HPLC) | CCG-268039 | R,S-O-(3-PIPERIDINO-2-HYDROXY-1-PROPYL)-NICOTINIC ACID AMIDOXIME DIHYDROCHLORIDE | RLN2GTG4YS | AS-16983 | BGP-15 | AKOS02674

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

s8370 | 3-Pyridinecarboximidamide, N-(2-hydroxy-3-(1-piperidinyl)propoxy)-, dihydrochloride | BGP-15, >=98% (HPLC) | CCG-268039 | R,S-O-(3-PIPERIDINO-2-HYDROXY-1-PROPYL)-NICOTINIC ACID AMIDOXIME DIHYDROCHLORIDE | RLN2GTG4YS | AS-16983 | BGP-15 | AKOS02674

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

PARP inhibitor (IC50= 120 μM). Displays cytoprotective effects in various disease models: decreases ROS levels, lipid peroxidation and single-strand DNA breaks in isolated reperfused rat hearts; improves mitochondrial function and protects against neurona

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504765042

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765042

Sorrisos canónicos

C1CCN(CC1)CC(CON=C(C2=CN=CC=C2)N)O.Cl.Cl

IUPAC Name

N'-(2-hydroxy-3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide;dihydrochloride

InChIKey

ISGGVCWFTPTHIX-UHFFFAOYSA-N

INCHI

1S/C14H22N4O2.2ClH/c15-14(12-5-4-6-16-9-12)17-20-11-13(19)10-18-7-2-1-3-8-18;;/h4-6,9,13,19H,1-3,7-8,10-11H2,(H2,15,17);2*1H

SMILES isoméricas

C1CCN(CC1)CC(CO/N=C(/C2=CN=CC=C2)\N)O.Cl.Cl

CAS alternativo

459809-32-6

Peso molecular

351.27

Reaxy-Rn

18309924

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18309924&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Piperidines Heteroaromatic compounds Trialkylamines Secondary alcohols 1,2-aminoalcohols Azacyclic compounds Amidines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Piperidine - Pyridine - Heteroaromatic compound - 1,2-aminoalcohol - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Amidine - Azacycle - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Alcohol - Hydrochloride - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solvent:water, Max Conc. mg/mL: 35.13, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 7.03, Max Conc. mM: 20 with gentle warming；DMSO (Slightly), Methanol (Slightly)
• Sensibilidade: Moisture sensitive.
• Peso molecular: 351.300 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 350.128 Da
• Monoisotopic Mass: 350.128 Da
• Topological Polar Surface Area: 84.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 306.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 3

XLogP3