BGP 15 - ≥98% , CAS No.66611-37-8

CAS: 66611-37-8 Cat. No.: B286640 Summenformel: C₁₄H₂₂N₄O₂•2HCl Molekulargewicht: 351.27 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

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

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504765042

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

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

Alternative CAS-Nummer

459809-32-6

Molekulargewicht

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
    • Klasse Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: 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)
• Empfindlichkeit: Moisture sensitive.
• Molekulargewicht: 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