BGP 15 - ≥98% , CAS No.66611-37-8

CAS: 66611-37-8 Cat. No.: B286640 分子式: C₁₄H₂₂N₄O₂•2HCl 分子量: 351.27 EC番号: 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

同義語

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

仕様と純度

≥98%

生化学的・生理学的メカニズム

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

保管条件

Store at -20°C,Argon charged

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

504765042

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

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

代替CAS番号

459809-32-6

分子量

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
    • 分類 Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: 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)
• 感度: Moisture sensitive.
• 分子量: 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