BGP 15 - ≥98% , CAS No.66611-37-8

CAS: 66611-37-8 Cat. No.: B286640 Formule: C₁₄H₂₂N₄O₂•2HCl Poids moléculaire: 351.27 Numéro 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

Stocker à -20°C, chargé d'argon

Shipped In

Glacière + blocs de glace

Specifications

Synonymes

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

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

Inhibiteur de PARP (IC50= 120 μM). Effets cytoprotecteurs dans divers modèles de maladies : diminution des niveaux de ROS, de la peroxydation des lipides et des cassures simple brin de l'ADN dans des cœurs de rats isolés reperfusés ; amélioration de la fo

Conditions de stockage de stockage

Stocker à -20°C, chargé d'argon

Expédié en

Glacière + blocs de glace

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504765042

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

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

CAS alternatif

459809-32-6

Poids moléculaire

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
• Description: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: 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)
• Sensibilité: Moisture sensitive.
• Poids moléculaire: 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