Proflavine Hemisulfate - ≥96% , CAS No.1811-28-5

CAS: 1811-28-5 Cat. No.: P129626 Peso molecular: 258.25 Beilstein Registry Number: 3921806 Número EC: 217-320-3

GRADE & PURITY ≥96%

Synonyms

Proflavin hemisulfate | MFCD00190764 | Tox21_112371_1 | AKOS005145347 | Q27254236 | 27V8M747VB | ACRIDINE, 3,6-DIAMINO-, SULPHATE (2:1) | gamma-lactone-Ribonate | DTXCID2023777 | Proflavine hemisulfate | 3,6-Diaminoacridine hemisulfate | AS-61681 | DTXSID

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Proflavine hemisulfate salt hydrate

Specifications

Sinónimos

Proflavin hemisulfate | MFCD00190764 | Tox21_112371_1 | AKOS005145347 | Q27254236 | 27V8M747VB | ACRIDINE, 3, 6-DIAMINO-, SULPHATE (2:1) | gamma-lactone-Ribonate | DTXCID2023777 | Proflavine hemisulfate | 3, 6-Diaminoacridine hemisulfate | AS-61681 | DTXSID

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%

Propiedades del producto

• ALogP: 1.8

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N.C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N.OS(=O)(=O)O
• IUPAC Name: acridine-3,6-diamine;sulfuric acid
• InChIKey: YADYXCVYLIKQJX-UHFFFAOYSA-N
• INCHI: 1S/2C13H11N3.H2O4S/c2*14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;1-5(2,3)4/h2*1-7H,14-15H2;(H2,1,2,3,4)
• Isómeros SMILES: C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N.C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N.OS(=O)(=O)O
• WGK Alemania: 3
• RTECS: AR9065100
• Peso molecular: 258.25
• Beilstein: 3921806
• Reaxy-Rn: 4775047
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4775047&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass Benzoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Benzoquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Acridines
• Alternative Parents: Aminoquinolines and derivatives Pyridines and derivatives Benzenoids Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organic salts Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Acridine - Aminoquinoline - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Primary amine - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocycle which consists of two benzene rings joined by a pyridine ring.
• 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

Objetivos asociados (humanos)

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DNA (187 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

groL GroEL/GroES (1042 Activities)

Discover Target: groL

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO <1 mg/mL Water 22 mg/mL Ethanol <1 mg/mL
• Sensibilidad: light & Moisture sensitive
• Peso molecular: 516.600 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 0
• Exact Mass: 516.158 Da
• Monoisotopic Mass: 516.158 Da
• Topological Polar Surface Area: 213.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 313.000
• 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

Referencias

1. Bing Gao, Xiaopin Zhang, Song Qiu, Hehua Jin, Qijun Song, Qingwen Li.  (2019)  Assembly of aligned semiconducting carbon nanotubes in organic solvents via introducing inter-tube electrostatic repulsion.  CARBON,      [PMID:] [10.1016/j.carbon.2019.01.095]