2-Amino-5-methylpyridine - ≥99% , CAS No.1603-41-4

CAS: 1603-41-4 Cat. No.: A107505 Peso molecular: 108.14 Beilstein Registry Number: 107050 Número EC: 216-503-5

GRADE & PURITY ≥99%

Synonyms

2-amino-5-methyl pyridine | 6-Amino-3-methylpyridine | amino-5-picoline | Q27271041 | NSC 96444 | STR01239 | BRN 0107050 | STK398101 | Tox21_200474 | NSC96444 | NSC-96444 | SCHEMBL16868 | 2-amino-5methylpyridine | 2-Amino-5-methylpyridine | 2-amino-5-meth

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-amino-5-methyl pyridine | 6-Amino-3-methylpyridine | amino-5-picoline | Q27271041 | NSC 96444 | STR01239 | BRN 0107050 | STK398101 | Tox21_200474 | NSC96444 | NSC-96444 | SCHEMBL16868 | 2-amino-5methylpyridine | 2-Amino-5-methylpyridine | 2-amino-5-meth

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488182106
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182106
• Sonrisas canónicas: CC1=CN=C(C=C1)N
• IUPAC Name: 5-methylpyridin-2-amine
• InChIKey: CMBSSVKZOPZBKW-UHFFFAOYSA-N
• INCHI: 1S/C6H8N2/c1-5-2-3-6(7)8-4-5/h2-4H,1H3,(H2,7,8)
• Isómeros SMILES: CC1=CN=C(C=C1)N
• WGK Alemania: 3
• RTECS: TJ5141000
• Número ONU: 2811
• Peso molecular: 108.14
• Beilstein: 107050
• Reaxy-Rn: 107050
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107050&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Aminopyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Aminopyridines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopyridines and derivatives
• Alternative Parents: Methylpyridines Imidolactams Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methylpyridine - Aminopyridine - Imidolactam - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to 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)

NOS2 Tchem Nitric oxide synthase, inducible (1 Activities)

Discover Target: NOS2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

NOS1 Tchem Nitric-oxide synthase, brain (1786 Activities)

Discover Target: NOS1

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

NOS3 Tchem Nitric-oxide synthase, endothelial (1452 Activities)

Discover Target: NOS3

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

Objetivos asociados (no humanos)

Nos2 Nitric oxide synthase, inducible (3573 Activities)

Discover Target: Nos2

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: souble in water;souble in Methanol
• Sensibilidad: Under Inert Atmosphere
• Punto de inflamación (°F): 244°F
• Punto de inflamación (°C): 118℃
• Punto de ebullición (°C): 227°C
• Punto de fusión (°C): 76-77°C
• Peso molecular: 108.140 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 108.069 Da
• Monoisotopic Mass: 108.069 Da
• Topological Polar Surface Area: 38.900 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 72.900
• 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

Referencias

1. Jingxuan Lu, Jingwen Luo, Jie Li, Shiyan Fu, Yonghong Ran, Juan Li, Yazhen Zhao, Yuhui Hao.  (2023)  Fluorescent Pirfenidone-Cerium(III) nanocomplexes protect against radiation-induced pulmonary fibrosis and inhibit tumor cell growth.  JOURNAL OF DRUG DELIVERY SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.jddst.2023.104651]

2. Liu Weixiang, Qin Yukun, Liu Song, Xing Ronge, Yu Huahua, Chen Xiaolin, Li Kecheng, Li Pengcheng.  (2018)  Synthesis of C-coordinated O-carboxymethyl chitosan metal complexes and evaluation of their antifungal activity.  Scientific Reports,  8  (1): (1-10).  [PMID:29556071] [10.1038/s41598-018-23283-9]