Arprinocid - ≥95% , CAS No.55779-18-5

CAS: 55779-18-5 Cat. No.: A345296 Formule: C₁₂H₉ClFN₅ Poids moléculaire: 277.69 Numéro CE: 259-817-8

GRADE & PURITY ≥95%

Synonyms

9H-Purin-6-amine, 9-[(2-chloro-6-fluorophenyl)methyl]- | ARPRINOCID [MI] | NCGC00262938-01 | 9H-Purin-6-amine, 9-((2-chloro-6-fluorophenyl)methyl)- | MFCD00867210 | Arpocox (TN) | D02987 | 9-[(2-Chloro-6-fluorophenyl)methyl]-9H-purin-6-amine | Arprinocida

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

9H-Purin-6-amine, 9-[(2-chloro-6-fluorophenyl)methyl]- | ARPRINOCID [MI] | NCGC00262938-01 | 9H-Purin-6-amine, 9-((2-chloro-6-fluorophenyl)methyl)- | MFCD00867210 | Arpocox (TN) | D02987 | 9-[(2-Chloro-6-fluorophenyl)methyl]-9H-purin-6-amine | Arprinocida

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Propriétés du produit

• pKa: pKa: 10.32

Noms et identifiants

• Pubchem Sid: 504753609
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753609
• Sourires canoniques: C1=CC(=C(C(=C1)Cl)CN2C=NC3=C(N=CN=C32)N)F
• IUPAC Name: 9-[(2-chloro-6-fluorophenyl)methyl]purin-6-amine
• InChIKey: NAPNOSFRRMHNBJ-UHFFFAOYSA-N
• INCHI: 1S/C12H9ClFN5/c13-8-2-1-3-9(14)7(8)4-19-6-18-10-11(15)16-5-17-12(10)19/h1-3,5-6H,4H2,(H2,15,16,17)
• Isomères SMILES: C1=CC(=C(C(=C1)Cl)CN2C=NC3=C(N=CN=C32)N)F
• Poids moléculaire: 277.69
• Reaxy-Rn: 827813
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=827813&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 6-aminopurines
• Alternative Parents: Fluorobenzenes Chlorobenzenes Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Aryl fluorides Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 6-aminopurine - Aminopyrimidine - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Imidolactam - Imidazole - Heteroaromatic compound - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Primary amine - Amine - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 6-aminopurines. These are purines that carry an amino group at position 6. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole 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

Cibles associées (non humaines)

Eimeria tenella (990 Activities)

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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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in DMSO, and water (58 mg/L) at 25 °C.
• Sensibilité: heat sensitive;Air sensitive
• Indice de réfraction: n20D1.73
• Point d'ébullition (°C): 504.6° C at 760 mmHg
• Point de fusion (°C): 242-244° C (dec.)
• Poids moléculaire: 277.680 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 277.053 Da
• Monoisotopic Mass: 277.053 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 320.000
• 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: 1