Parbendazole - ≥98% , CAS No.14255-87-9

CAS: 14255-87-9 Cat. No.: P302858 Summenformel: C₁₃H₁₇N₃O₂ Molekulargewicht: 247.29 EG-Nummer: 238-133-3 PubChem CID: 26596

GRADE & PURITY ≥98%

Synonyms

5-Butyl-2-(carbomethoxyamino)benzimidazole | BRD-K02407574-001-04-8 | DTXCID8025410 | SKF-29044 | HMS1571M22 | NSC256420 | NSC-256420 | NSC 256420 | AC-1936 | CARBAMIC ACID, N-(6-BUTYL-1H-BENZIMIDAZOL-2-YL)-, METHYL ESTER | FT-0630413 | BRD-K02407574-001-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

5-Butyl-2-(carbomethoxyamino)benzimidazole | BRD-K02407574-001-04-8 | DTXCID8025410 | SKF-29044 | HMS1571M22 | NSC256420 | NSC-256420 | NSC 256420 | AC-1936 | CARBAMIC ACID, N-(6-BUTYL-1H-BENZIMIDAZOL-2-YL)-, METHYL ESTER | FT-0630413 | BRD-K02407574-001-

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504753339
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753339
• Kanonisches Lächeln: CCCCC1=CC2=C(C=C1)N=C(N2)NC(=O)OC
• IUPAC Name: methyl N-(6-butyl-1H-benzimidazol-2-yl)carbamate
• InChIKey: YRWLZFXJFBZBEY-UHFFFAOYSA-N
• INCHI: 1S/C13H17N3O2/c1-3-4-5-9-6-7-10-11(8-9)15-12(14-10)16-13(17)18-2/h6-8H,3-5H2,1-2H3,(H2,14,15,16,17)
• Isomere SMILES: CCCCC1=CC2=C(C=C1)N=C(N2)NC(=O)OC
• PubChem CID: 26596
• Molekulargewicht: 247.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzimidazoles
      • Subclass 2-benzimidazolylcarbamic acid esters

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzimidazoles
• Subclass: 2-benzimidazolylcarbamic acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-benzimidazolylcarbamic acid esters
• Alternative Parents: Benzenoids Imidazoles Heteroaromatic compounds Carbamate esters Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-benzimidazolylcarbamic acid ester - Benzenoid - Azole - Imidazole - Carbamic acid ester - Heteroaromatic compound - Carbonic acid derivative - Azacycle - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 2-benzimidazolylcarbamic acid esters. These are aromatic heteropolycyclic compounds that contain a carbamic acid ester group, which is N-linked to the C2-atom of a benzimidazole moiety.
• 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

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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)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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SLC2A1 Tchem Glucose transporter (14755 Activities)

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CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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FaDu (1726 Activities)

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HepG2 (196354 Activities)

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HIF1A Tchem Hypoxia-inducible factor 1 alpha (6027 Activities)

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ABCB11 Tchem Bile salt export pump (2311 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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CAL-27 (814 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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GMNN Tbio Geminin (128009 Activities)

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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

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HFF-1 (186 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Galc Galactocerebrosidase (11 Activities)

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Rodentolepis nana (555 Activities)

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Plasmodium falciparum (966862 Activities)

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Trichinella spiralis (212 Activities)

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Heligmosomoides polygyrus (261 Activities)

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lef Anthrax lethal factor (7585 Activities)

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ht1 Hexose transporter 1 (14071 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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TUBB2B Tubulin (2175 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 247.290 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 247.132 Da
• Monoisotopic Mass: 247.132 Da
• Topological Polar Surface Area: 67.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 285.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 14255-87-9, the molecular formula is C13H17N3O2, and the molecular weight is 247.29 g/mol. InChIKey YRWLZFXJFBZBEY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.