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

CAS: 6066-49-5 Cat. No.: B425024 Summenformel: C12H14O2 Molekulargewicht: 190.24 EG-Nummer: 228-000-8
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QUALITÄT & REINHEIT Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 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
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Preis
Menge
1ml
B425024-1ml
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1 Auf Lager
69,33€
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Spezifikationen

Synonyme
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 Show more
Spezifikationen & Reinheit
Moligand™,10mM in DMSO
Storage
Store at -80°C
Verschickt in
Dry ice packs + Cold packs
Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.
Note
Moligand™
Namen und Kennungen
Pubchem Sid
Kanonisches Lächeln
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
Isomere SMILES
CCCCC1C2=CC=CC=C2C(=O)O1
Molekulargewicht
190.24
Reaxy-Rn
136652
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=136652&ln=

Erweiterte Daten

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
KlasseBenzofurans
SubclassBenzofuranones
Intermediate Tree Nodes Not available
Direct ParentBenzofuranones
Alternative Parents Phthalides  Benzenoids  Lactones  Carboxylic acid esters  Oxacyclic compounds  Monocarboxylic acids and derivatives  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic 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
BeschreibungThis 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
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (menschlich)
MAOA Tclin Monoamine oxidase A (11911 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAOB Tclin Monoamine oxidase B (8835 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BCHE Tclin Butyrylcholinesterase (7174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APP Tclin Amyloid-beta A4 protein (8510 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Zugehörige Ziele (nicht menschlich)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PC-12 (7051 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BV-2 (3710 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasma (328 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Aorta (2975 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Grin1 Glutamate NMDA receptor (6467 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemische und physikalische Eigenschaften
Flammpunkt (°C)128 °C
Siedepunkt (°C)178 °C/15 mmHg
Molekulargewicht190.240 g/mol
XLogP32.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass190.099 Da
Monoisotopic Mass190.099 Da
Topological Polar Surface Area26.300 Ų
Heavy Atom Count14
Formal Charge0
Complexity212.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Lösungsrechner
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