Pyrene standard solution - 2000μg/ml in Toluene , CAS No.129-00-0

CAS: 129-00-0 Cat. No.: P141124 Formule: C₁₆H₁₀ Poids moléculaire: 202.25 Beilstein Registry Number: 1307225 Numéro CE: 204-927-3

QUALITÉ & PURETÉ 2000μg/ml in Toluene

Synonyms

Benzo (d,e,f) phenanthrene|Coal tar pitch volatiles:pyrene|Pyrene; Benzo[def]phenanthrene; NSC 17534; NSC 66449|Pyrene (purified by sublimation)|PYRENE [HSDB]|{Benzo[def]phenanthrene}|PYRENE|Benzo[def]phenanthrene|benzo(d,e,f)phenanthrene|Benzo(def)phenanthrene|beta-Pyrene|Pyrene sublimed grade|Pyrene (ACD/Name 4.0)|beta-Pyrine|Pireno|.beta.-Pyrene|Pyren|PYRENE [MI]|Pyren [German]|PYRENE [IARC]|Pyrene[def]phenanthrene|Pyrene-13C6|PYRENE (IARC)|Coal tar pitch volatiles: pyrene|Pyrene, Powder

Storage

Store at 2-8°C

Shipped In

Wet ice

Spécifications

Synonymes

Benzo (d,e,f) phenanthrene | Coal tar pitch volatiles:pyrene | Pyrene; Benzo[def]phenanthrene; NSC 17534; NSC 66449 | Pyrene (purified by sublimation) | PYRENE [HSDB] | {Benzo[def]phenanthrene} | PYRENE | Benzo[def]phenanthrene | benzo(d,e,f)phenanthrene | Benzo(def)phenanthrene | beta-Pyrene | Pyrene sublimed grade | Pyrene (ACD/Name 4.0 Afficher plus

Spécifications et pureté

2000μg/ml in Toluene

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

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

Noms et identifiants

Pubchem Sid

528775103

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528775103

Sourires canoniques

C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2

IUPAC Name

pyrene

InChIKey

BBEAQIROQSPTKN-UHFFFAOYSA-N

INCHI

1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H

Isomères SMILES

C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2

WGK Allemagne

2

RTECS

UR2450000

Poids moléculaire

202.25

Beilstein

1307225

Reaxy-Rn

1307225

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1307225&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Pyrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Pyrenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrenes
• Alternative Parents: Phenanthrenes and derivatives Naphthalenes Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Pyrene - Phenanthrene - Naphthalene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
• External Descriptors: ortho- and peri-fused polycyclic arene

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

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CYP1A2 Tchem Cytochrome P450 1A2 (1 Activities)

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

CYP1B1 Tchem Cytochrome P450 1B1 (2 Activities)

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CYP1A1 Tchem Cytochrome P450 1A1 (2 Activities)

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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CYP1B1 Tchem Cytochrome P450 1B1 (1148 Activities)

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CYP1A1 Tchem Cytochrome P450 1A1 (1169 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

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GALNT2 Tchem Polypeptide N-acetylgalactosaminyltransferase 2 (34 Activities)

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Galc Galactocerebrosidase (11 Activities)

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Polycyclic aromatic hydrocarbon binding protein (16 Activities)

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lef Anthrax lethal factor (7585 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Point d'éclair (°C): 224℃
• Point d'ébullition (°C): 404℃
• Point de fusion (°C): 150°C
• Poids moléculaire: 202.250 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 202.078 Da
• Monoisotopic Mass: 202.078 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 217.000
• 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