Nicarbazin - ≥98% , CAS No.330-95-0

CAS: 330-95-0 Cat. No.: N114349 Peso molecular: 426.38 Número EC: 206-359-1

GRADE & PURITY ≥98%

Synonyms

AI3-60130 | C18389 | Urea, N,N-bis(4-nitrophenyl)-, compound with 4,6-dimethyl-2(1H)-pyrimidinone (1:1) | AKOS025310650 | HSDB 7466 | 1,3-Bis(4-nitrophenyl)urea 4,6-dimethylpyrimidin-2-ol (1:1) | D95916 | NICARBAZIN [GREEN BOOK] | Tox21_304000 | MFCD09033

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

AI3-60130 | C18389 | Urea, N, N-bis(4-nitrophenyl)-, compound with 4, 6-dimethyl-2(1H)-pyrimidinone (1:1) | AKOS025310650 | HSDB 7466 | 1, 3-Bis(4-nitrophenyl)urea 4, 6-dimethylpyrimidin-2-ol (1:1) | D95916 | NICARBAZIN [GREEN BOOK] | Tox21_304000 | MFCD09033

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Nicarbazine affects poultry reproduction by reducing egg production, egg weight and hatchability. The mechanism of action of nicarbazine is unknown.

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.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 508813324
• Sonrisas canónicas: CC1=CC(=NC(=O)N1)C.C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
• IUPAC Name: 1,3-bis(4-nitrophenyl)urea;4,6-dimethyl-1H-pyrimidin-2-one
• InChIKey: UKHWDRMMMYWSFL-UHFFFAOYSA-N
• INCHI: 1S/C13H10N4O5.C6H8N2O/c18-13(14-9-1-5-11(6-2-9)16(19)20)15-10-3-7-12(8-4-10)17(21)22;1-4-3-5(2)8-6(9)7-4/h1-8H,(H2,14,15,18);3H,1-2H3,(H,7,8,9)
• Isómeros SMILES: CC1=CC(=NC(=O)N1)C.C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
• Peso molecular: 426.38
• Reaxy-Rn: 3867901
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3867901&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass N-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylureas
• Alternative Parents: Nitrobenzenes Nitroaromatic compounds Pyrimidones Hydropyrimidines Heteroaromatic compounds Ureas Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: N-phenylurea - Nitrobenzene - Nitroaromatic compound - Pyrimidone - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - C-nitro compound - Carbonic acid derivative - Urea - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
• External Descriptors: organic molecular entity

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 (no humanos)

Faah Anandamide amidohydrolase (3907 Activities)

Discover Target: Faah

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

Eimeria tenella (990 Activities)

Explore this target

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

Eimeria acervulina (464 Activities)

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: air sensitive
• Punto de fusión (°C): 260-265°C
• Peso molecular: 426.400 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 426.129 Da
• Monoisotopic Mass: 426.129 Da
• Topological Polar Surface Area: 174.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 582.000
• 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