Methyl 5-Aminolevulinate Hydrochloride - ≥98%(T) , CAS No.79416-27-6

CAS: 79416-27-6 Cat. No.: M158394 Peso molecular: 181.62 Número EC: 279-151-1

GRADE & PURITY ≥98%(T)

Synonyms

SCHEMBL1177591 | DTXSID4045630 | MFCD00012868 | 3-Aminoacetylpropionic Acid Methyl Ester Hydrochloride | Aminolevulinic acid methyl ester Hydrochloride | METHYLAMINOLEVULINATE HYDROCHLORIDE | Z3015912776 | CAS-79416-27-6 | CCG-266438 | LS-187769 | Methyl

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

SCHEMBL1177591 | DTXSID4045630 | MFCD00012868 | 3-Aminoacetylpropionic Acid Methyl Ester Hydrochloride | Aminolevulinic acid methyl ester Hydrochloride | METHYLAMINOLEVULINATE HYDROCHLORIDE | Z3015912776 | CAS-79416-27-6 | CCG-266438 | LS-187769 | Methyl

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Tipo de acción

ACTIVATOR

Pureza

≥98%(T)

Nombres e identificadores

• Sonrisas canónicas: COC(=O)CCC(=O)CN.Cl
• IUPAC Name: methyl 5-amino-4-oxopentanoate;hydrochloride
• InChIKey: UJYSYPVQHFNBML-UHFFFAOYSA-N
• INCHI: 1S/C6H11NO3.ClH/c1-10-6(9)3-2-5(8)4-7;/h2-4,7H2,1H3;1H
• Isómeros SMILES: COC(=O)CCC(=O)CN.Cl
• Peso molecular: 181.62
• Reaxy-Rn: 5991317
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5991317&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Delta amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Delta amino acids and derivatives
• Alternative Parents: Gamma-keto acids and derivatives Fatty acid methyl esters Methyl esters Alpha-amino ketones Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Delta amino acid or derivatives - Gamma-keto acid - Fatty acid ester - Fatty acid methyl ester - Keto acid - Fatty acyl - Alpha-aminoketone - Methyl ester - Carboxylic acid ester - Ketone - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary aliphatic amine - Primary amine - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Amine - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as delta amino acids and derivatives. These are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom.
• External Descriptors: hydrochloride

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)

KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

Discover Target: KDM4E

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

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

Objetivos asociados (no humanos)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water
• Sensibilidad: Moisture & heat & light sensitive
• Punto de fusión (°C): 122 °C
• Peso molecular: 181.620 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 181.051 Da
• Monoisotopic Mass: 181.051 Da
• Topological Polar Surface Area: 69.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 133.000
• 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: 2

XLogP3

Referencias

1. Yanyan Meng, Shaoqing Chen, Pengyin Li, Cheli Wang, Xinye Ni.  (2024)  Homologous tumor cell membrane-encapsulated methyl 5-aminolevulinate solid lipid nanoparticles for the precise localization of melanoma and sensitization by radiotherapy.  MATERIALS & DESIGN,      [PMID:] [10.1016/j.matdes.2024.112813]

2. Yanyan Meng, Shaoqing Chen, Pengyin Li, Cheli Wang, Xinye Ni.  (2024)  Tumor Cell Membrane-Encapsulated MLA Solid Lipid Nanoparticles for Targeted Diagnosis and Radiosensitization Therapy of Cutaneous Squamous Cell Carcinoma.  MOLECULAR PHARMACEUTICS,      [PMID:38885477] [10.1021/acs.molpharmaceut.3c01247]