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

CAS: 4431-01-0 Cat. No.: L424013 Fórmula: C12H14O2 Peso molecular: 190.238 Número CE: 809-243-4
Disponível para encomenda
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
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Size
Alemanha (EU)
USA*
Price
Qty
1ml
L424013-1ml
—
1 Em stock

83,22€

122,26€
Gravar 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.

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Literature proof

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

Visão geral

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

Sinónimos
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
Especificações e pureza
10mM in DMSO
Mecanismos bioquímicos e fisiológicos
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.
Condições de armazenamento de armazenamento
Store at -80°C
Enviado em
Dry ice packs + Cold packs
Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.
Nomes e identificadores
Pubchem Sid528775579
Sorrisos canónicosCCCC=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-
SMILES isoméricas CCC/C=C\1/C2=C(C=CCC2)C(=O)O1
CAS alternativo 81944-09-4
Peso molecular 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
DescriçãoThis compound belongs to the class of organic compounds known as isobenzofurans. These are organic aromatic compounds containing an isobenzofuran moiety.
External Descriptors butenolide
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alvos associados (não humanos)
Htr7 Serotonin 7 (5-HT7) receptor (19 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
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MAL62 Alpha-glucosidase MAL62 (106 Activities)
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rep Replicase polyprotein 1ab (378 Activities)
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Trpa1 Transient receptor potential cation channel subfamily A member 1 (1003 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Anopheles stephensi (118 Activities)
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Bemisia tabaci (599 Activities)
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Colletotrichum fragariae (147 Activities)
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Colletotrichum gloeosporioides (560 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
nAChRbeta2 Acetylcholine receptor subunit beta-like 2 (115 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Colletotrichum acutatum (300 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
Ponto de ebulição (°C)169℃/mmHg
Ponto de fusão (°C)159℃
Peso molecular190.240 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
Referências
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]
Calculadoras de soluções
Revisões

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