Pyrithioxin Dihydrochloride - 99% , CAS No.10049-83-9

CAS: 10049-83-9 Cat. No.: P189281 Formula: C₁₆H₂₂Cl₂N₂O₄S₂ Peso molecolare: 441.39 PubChem CID: 82325

Synonyms

(S)-2-amino-4-sulfobutanoic acid | BCP13440 | SB-207266-A | AKOS022172353 | Pyritinoldihydrochlorid | 5,5'-[dithiodi(methylene)]bis[4-(hydroxymethyl)-2-methylpyridin-3-ol] dihydrochloride | Pyrithioxin dihydrochloride, analytical standard | 5-[[[5-hydroxy

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Panoramica

Pyrithioxine HCl, a neurotropic agent, reduces the permeability of the blood-brain barrier to phosphate. It has no activity of vitamin B6.

Application：

Pyrithioxin dihydrochloride is a neurodynamic compound, combined with a short period of hyperventilation (HV) was applied in cerebral infarct patients with Hemiplegia.

Specifiche

Sinonimi

(S)-2-amino-4-sulfobutanoic acid | BCP13440 | SB-207266-A | AKOS022172353 | Pyritinoldihydrochlorid | 5,5'-[dithiodi(methylene)]bis[4-(hydroxymethyl)-2-methylpyridin-3-ol] dihydrochloride | Pyrithioxin dihydrochloride, analytical standard | 5-[[[5-hydroxy

Specifiche e purezza

99%

Condizioni di conservazione di stoccaggio

Store at -20°C,Argon charged

Spedito in

Ice chest + Ice pads

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

Nomi e identificatori

Sorrisi canonici

CC1=NC=C(C(=C1O)CO)CSSCC2=CN=C(C(=C2CO)O)C.Cl.Cl

IUPAC Name

5-[[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride

InChIKey

HRZWYHGGJOWGRI-UHFFFAOYSA-N

INCHI

1S/C16H20N2O4S2.2ClH/c1-9-15(21)13(5-19)11(3-17-9)7-23-24-8-12-4-18-10(2)16(22)14(12)6-20;;/h3-4,19-22H,5-8H2,1-2H3;2*1H

Isomeri SMILES

CC1=NC=C(C(=C1O)CO)CSSCC2=CN=C(C(=C2CO)O)C.Cl.Cl

PubChem CID

82325

Peso molecolare

441.39

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Methylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methylpyridines
• Alternative Parents: Hydroxypyridines Heteroaromatic compounds Dialkyldisulfides Sulfenyl compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrochlorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methylpyridine - Hydroxypyridine - Heteroaromatic compound - Organic disulfide - Dialkyldisulfide - Sulfenyl compound - Azacycle - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Hydrochloride - Organic oxygen compound - Aromatic alcohol - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as methylpyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a methyl group.
• 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: DMSO : 66.67 mg/mL (151.05 mM; Need ultrasonic)；H2O : 50 mg/mL (113.28 mM; Need ultrasonic)
• Sensibilità: Moisture sensitive
• Peso molecolare: 441.400 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 440.04 Da
• Monoisotopic Mass: 440.04 Da
• Topological Polar Surface Area: 157.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 346.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3

Domande frequenti

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 10049-83-9, the molecular formula is C16H22Cl2N2O4S2, and the molecular weight is 441.39 g/mol. InChIKey HRZWYHGGJOWGRI-UHFFFAOYSA-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.