Ligustilide - 10mM in DMSO , CAS No.4431-01-0

CAS: 4431-01-0 Cat. No.: L424013 Formule: C12H14O2 Poids moléculaire: 190.238 Numéro CE: 809-243-4
DISPONIBLE À COMMANDE
GRADE & PURITY 10mM in DMSO
Synonyms
STK500619 | BCP09458 | (3Z)-3-butylidene-4,5-dihydro-2-benzofuran-1-one. | Ligustilide, >=98% (HPLC) | s9385 | (3Z)-3-butylidene-4,5-dihydro-2-benzofuran-1-one | cis-ligustilide | HY-N0401 | 3-Butylidene-4,5-dihydro-1(3H)-isobenzofuranone;1(3H)-Isobenzofu
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
Size
Allemagne (EU)
USA*
Price
Qty
1ml
L424013-1ml
—
1 En stock

83,22€

122,26€
Enregistrer 39,05 € (31.94%)
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Vue d’ensemble

Ligustilide is a phthalide derivative that has been shown to have broad applications in the study and treatment of cardiovascular diseases and ischemic brain injury.

Specifications

Synonymes
STK500619 | BCP09458 | (3Z)-3-butylidene-4,5-dihydro-2-benzofuran-1-one. | Ligustilide, >=98% (HPLC) | s9385 | (3Z)-3-butylidene-4,5-dihydro-2-benzofuran-1-one | cis-ligustilide | HY-N0401 | 3-Butylidene-4,5-dihydro-1(3H)-isobenzofuranone;1(3H)-Isobenzofu
Spécifications et pureté
10mM in DMSO
Mécanismes biochimiques et physiologiques
Ligustilide can inhibit the proliferation of and cell cycle progression of vascular smooth muscle cells and inhibits vasoconstriction. It increases vasodilation, anti-thrombosis, and serotonergic activity and decreases platelet aggregation.
Conditions de stockage de stockage
Store at -80°C
Expédié en
Dry ice packs + Cold packs
Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.
Noms et identifiants
Pubchem Sid528775579
Sourires canoniquesCCCC=C1C2=C(C=CCC2)C(=O)O1
IUPAC Name(3Z)-3-butylidene-4,5-dihydro-2-benzofuran-1-one
InChIKeyIQVQXVFMNOFTMU-FLIBITNWSA-N
INCHI1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7-8H,2-4,6H2,1H3/b11-8-
Isomères SMILES CCC/C=C\1/C2=C(C=CCC2)C(=O)O1
CAS alternatif 81944-09-4
Poids moléculaire 190.238
Reaxy-Rn 1344345
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1344345&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClasseIsobenzofurans
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentIsobenzofurans
Alternative Parents Butenolides  Enol esters  Enoate esters  Lactones  Oxacyclic compounds  Monocarboxylic acids and derivatives  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic heteropolycyclic compounds
Substituents Isobenzofuran - 2-furanone - Dihydrofuran - Enol ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as isobenzofurans. These are organic aromatic compounds containing an isobenzofuran moiety.
External Descriptors butenolide
Structure 3D
Modèle de structure chimique interactif





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Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
Point d'ébullition (°C)169℃/mmHg
Point de fusion (°C)159℃
Poids moléculaire190.240 g/mol
XLogP32.700
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass190.099 Da
Monoisotopic Mass190.099 Da
Topological Polar Surface Area26.300 Ų
Heavy Atom Count14
Formal Charge0
Complexity345.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Citations of This Product
Références
1. Shasha He, Xuhua He, Shujuan Pan, Wenwen Jiang.  (2023)  Exploring the Mechanism of Chuanxiong Rhizoma against Thrombosis Based on Network Pharmacology, Molecular Docking and Experimental Verification.  MOLECULES,  28  (18): (6702).  [PMID:37764479] [10.3390/molecules28186702]
2. Zhengyong Wang, Yuqi Cao, Yingjie Lu, Fang Zhang, Yue Su, Yinlong Guo.  (2020)  Ultrasonic extraction and nebulization in real-time coupled with carbon fiber ionization mass spectrometry for rapid screening of the synthetic drugs adulterated into herbal products.  ANALYTICA CHIMICA ACTA,      [PMID:33081950] [10.1016/j.aca.2020.08.045]
Calculateurs de solution
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