N,N′-Bis(2-aminoetil)-1,3-propanodiamina - ≥97% , CAS No.4741-99-5

CAS: 4741-99-5 Cat. No.: B124209 Peso molecular: 160.26 Beilstein Registry Number: 1742732 Número EC: 225-254-1

GRADE & PURITY ≥97%

Synonyms

C.I. 59300 | MFCD00058956 | N,N'-Bis(2-aminoethyl)propane-1,3-diamine | 1,8,11-Tetraazaundecane | Diethylenetriamine, 4-(3-aminopropyl)- | SCHEMBL345134 | DS-5421 | D81996 | UNII-3J941O9333 | 1,3-bis(2-aminoethylamino)propane | 3,7-Diaza-1,9-nonanediamine

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Este material es un quelante de Cu(II) de alta afinidad que inhibe la citocromo c oxidasa mitocondrial provocando una deficiencia celular de Cu en una línea celular de leucemia promielocítica humana (HL-60).
Este material se utilizó para estudiar la regulación del gen que codifica la superóxido dismutasa periplásmica de Escherichia coli en respuesta al cobre.

Specifications

Sinónimos

C.I. 59300 | MFCD00058956 | N, N'-Bis(2-aminoethyl)propane-1, 3-diamine | 1, 8, 11-Tetraazaundecane | Diethylenetriamine, 4-(3-aminopropyl)- | SCHEMBL345134 | DS-5421 | D81996 | UNII-3J941O9333 | 1, 3-bis(2-aminoethylamino)propane | 3, 7-Diaza-1, 9-nonanediamine

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C(CNCCN)CNCCN
• IUPAC Name: N,N'-bis(2-aminoethyl)propane-1,3-diamine
• InChIKey: UWMHHZFHBCYGCV-UHFFFAOYSA-N
• INCHI: 1S/C7H20N4/c8-2-6-10-4-1-5-11-7-3-9/h10-11H,1-9H2
• Isómeros SMILES: C(CNCCN)CNCCN
• WGK Alemania: 3
• Peso molecular: 160.26
• Beilstein: 1742732
• Reaxy-Rn: 1742732
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1742732&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Secondary amines
          • Level6 Dialkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Secondary amines
• Direct Parent: Dialkylamines
• Alternative Parents: Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary aliphatic amine - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dialkylamines. These are organic compounds containing a dialkylamine group, characterized by two alkyl groups bonded to the amino nitrogen.
• External Descriptors: tetraamine - polyazaalkane

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)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

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CA3 Tclin Carbonic anhydrase III (753 Activities)

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CA6 Tclin Carbonic anhydrase VI (993 Activities)

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CA1 Tclin Carbonic anhydrase I (13240 Activities)

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CA5B Tclin Carbonic anhydrase VB (957 Activities)

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CA5A Tclin Carbonic anhydrase VA (1168 Activities)

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CA14 Tclin Carbonic anhydrase XIV (1305 Activities)

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CA12 Tclin Carbonic anhydrase XII (6231 Activities)

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CA9 Tclin Carbonic anhydrase IX (8255 Activities)

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Objetivos asociados (no humanos)

Ca7 Carbonic anhydrase VII (3 Activities)

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Ca13 Carbonic anhydrase XIII (322 Activities)

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CA4 Carbonic anhydrase IV (1713 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive
• Índice de refracción: 1.494
• Punto de inflamación (°F): 230 °F
• Punto de inflamación (°C): 100°C(212°F)
• Punto de ebullición (°C): 287 °C
• Punto de fusión (°C): 287°C
• Peso molecular: 160.260 g/mol
• XLogP3: -2.200
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 160.169 Da
• Monoisotopic Mass: 160.169 Da
• Topological Polar Surface Area: 76.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 59.500
• 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: 1