Butylphthalide - Moligand™,10mM in DMSO , CAS No.6066-49-5

CAS: 6066-49-5 Cat. No.: B425024 Formula: C₁₂H₁₄O₂ Peso molecolare: 190.24 Numero EC: 228-000-8

QUALITÀ & PUREZZA Moligand™, 10mM in DMSO

Synonyms

DL-NBP|3-Butyl-1(3H)-isobenzofuranone|N-butylphthalide|3-n-Butylphthalide|3-Butyl-2-benzofuran-1(3H)-one|3-N-BUTYLPHATHLIDE|3-butylisobenzofuran-1(3H)-one|dibutyl2,2-thiobisacetate|butylphthalidum|3-butyl-3H-2-benzouran-1-one|Phthalide, 3-butyl-|3-BUTYLPHTHALIDE|3-n-Butylphthalide;3-Butylphthalide|(+/-)-3-BUTYLPHTHALIDE|3-butyl-3H-2-benzofuran-1-one|3-butyl-3H-isobenzofuran-1-one|butilftalida|3-butyl-1,3-dihydro-2-benzofuran-1-one|Rac-3-n-butylphthalide|dl-3-n-butylphthalide|3-Butylphthalide pound>>3-n-Butylphthalide|Butylphthalide [INN]|Butylphthalide|(+/-)-butylphthalide|BUTYLPHTHALIDE [WHO-DD]

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifiche

Sinonimi

DL-NBP | 3-Butyl-1(3H)-isobenzofuranone | N-butylphthalide | 3-n-Butylphthalide | 3-Butyl-2-benzofuran-1(3H)-one | 3-N-BUTYLPHATHLIDE | 3-butylisobenzofuran-1(3H)-one | dibutyl2,2-thiobisacetate | butylphthalidum | 3-butyl-3H-2-benzouran-1-one | Phthalide, 3-butyl- | 3-BUTYLPHTHALIDE | 3-n-Butylphthalide;3-Butylphthalide | (+/-)-3-BUTYLPH Mostra altro

Specifiche e purezza

Moligand™,10mM in DMSO

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Nomi e identificatori

Pubchem Sid

528768936

Sorrisi canonici

CCCCC1C2=CC=CC=C2C(=O)O1

IUPAC Name

3-butyl-3H-2-benzofuran-1-one

InChIKey

HJXMNVQARNZTEE-UHFFFAOYSA-N

INCHI

1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3

Isomeri SMILES

CCCCC1C2=CC=CC=C2C(=O)O1

Peso molecolare

190.24

Reaxy-Rn

136652

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=136652&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzofurans
      • Subclass Benzofuranones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzofurans
• Subclass: Benzofuranones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzofuranones
• Alternative Parents: Phthalides Benzenoids Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isobenzofuranone - Phthalide - Benzofuranone - Isocoumaran - Benzenoid - Lactone - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzofuranones. These are organic compounds containing a benzene ring fused to a furanone.
• 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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MAOA Tclin Monoamine oxidase A (11911 Activities)

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MAOB Tclin Monoamine oxidase B (8835 Activities)

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BCHE Tclin Butyrylcholinesterase (7174 Activities)

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APP Tclin Amyloid-beta A4 protein (8510 Activities)

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Obiettivi associati (non umani)

Hdac6 Histone deacetylase 6 (222 Activities)

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Mus musculus (284745 Activities)

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PC-12 (7051 Activities)

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BV-2 (3710 Activities)

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Plasma (328 Activities)

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Grin1 Glutamate NMDA receptor (6467 Activities)

Discover Target: Grin1

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di infiammabilità (°C): 128 °C
• Punto di ebollizione (°C): 178 °C/15 mmHg
• Peso molecolare: 190.240 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 190.099 Da
• Monoisotopic Mass: 190.099 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 212.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1