Isoimperatorin - analytical standard, Moligand™, ≥98% , CAS No.482-45-1

CAS: 482-45-1 Cat. No.: I102825 Molecular Weight: 270.28 EC Number: 801-715-8
AVAILABLE TO ORDER
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
Synonyms
IGWDEVSBEKYORK-UHFFFAOYSA-N | Iso Imperatorin | CCG-267156 | MEGxp0_000090 | UNII-0ZMV066080 | 7,4-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g]-1-benzopyran-7-one | 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-((3-methyl-2-butenyl)oxy)- | 4-(3-methylbut-2-enoxy)furo[
Storage
Store at 2-8°C
Shipped In
Wet ice
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Size
Status
Price
Qty
20mg
I102825-20mg
1
$38.90
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Why this grade

analytical standard, Moligand™, ≥98% Analytical standard,Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C Ships Wet ice 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.

Specifications

Synonyms
IGWDEVSBEKYORK-UHFFFAOYSA-N | Iso Imperatorin | CCG-267156 | MEGxp0_000090 | UNII-0ZMV066080 | 7, 4-[(3-methyl-2-butenyl)oxy]-7H-furo[3, 2-g]-1-benzopyran-7-one | 7H-Furo(3, 2-g)(1)benzopyran-7-one, 4-((3-methyl-2-butenyl)oxy)- | 4-(3-methylbut-2-enoxy)furo[
Specifications & Purity
analytical standard, Moligand™, ≥98%
Biochemical and Physiological Mechanisms
Inhibits COX-dependent PGD2 production (IC 50 values are 11 and 24 μM for COX-1 and COX-2 respectively). Inhibits LTC4 production (IC 50 = 6 μM). Shows antiproliferative effects. Shows vasodilatory and anti-inflammatory effects in vivo. Orally active.
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Analytical standard, Moligand™
Note
Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Purity
≥98%
Names and Identifiers
Canonical SmilesCC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C
IUPAC Name4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one
InChIKeyIGWDEVSBEKYORK-UHFFFAOYSA-N
INCHI1S/C16H14O4/c1-10(2)5-7-19-16-11-3-4-15(17)20-14(11)9-13-12(16)6-8-18-13/h3-6,8-9H,7H2,1-2H3
Isomeric SMILES CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C
Molecular Weight 270.28
Reaxy-Rn 1291723
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1291723&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
SuperclassPhenylpropanoids and polyketides
ClassCoumarins and derivatives
SubclassFuranocoumarins
Intermediate Tree Nodes Linear furanocoumarins
Direct ParentPsoralens
Alternative Parents 1-benzopyrans  Benzofurans  Pyranones and derivatives  Alkyl aryl ethers  Benzenoids  Heteroaromatic compounds  Furans  Lactones  Oxacyclic compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Psoralen - Benzopyran - 1-benzopyran - Benzofuran - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Furan - Lactone - Ether - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as psoralens. These are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one.
External Descriptors psoralens
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
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
PTH1R Tclin Parathyroid hormone receptor (47172 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1B1 Tchem Cytochrome P450 1B1 (1148 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BACE1 Tchem Beta-secretase 1 (15641 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PANC-1 (6144 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PSN1 (345 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MIA PaCa-2 (5949 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-231 (73002 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LMNA Tbio Prelamin-A/C (36751 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TARDBP Tchem TAR DNA-binding protein 43 (40113 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Mycobacterium tuberculosis (203094 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BCHE Cholinesterase (8742 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PA Polymerase acidic protein (806 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Gabrg2 GABA-A receptor; alpha-1/beta-2/gamma-2 (554 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot NumberCertificate TypeDateItem
A2503713Certificate of AnalysisDec 16, 2024 I102825
L1305066Certificate of AnalysisMay 08, 2023 I102825
D2303977Certificate of AnalysisDec 19, 2022 I102825
Chemical and Physical Properties
SensitivityHeat sensitive
Molecular Weight270.280 g/mol
XLogP33.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass270.089 Da
Monoisotopic Mass270.089 Da
Topological Polar Surface Area48.700 Ų
Heavy Atom Count20
Formal Charge0
Complexity436.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Congyi Zhu, Cheng Peng, Diyang Qiu, Jiwu Zeng.  (2022)  Metabolic Profiling and Transcriptional Analysis of Carotenoid Accumulation in a Red-Fleshed Mutant of Pummelo (Citrus grandis).  MOLECULES,  27  (14): (4595).  [PMID:35889470] [10.3390/molecules27144595]
2. Sun Yujing, Wang Yihua, Zhang Le, Ye Xingqian, Guo Jingtong.  (2024)  Furanocoumarin profiles and inhibitory effects on cytochrome P450 activity of whole citrus fruit.  Food Quality and Safety,      [PMID:] [10.1093/fqsafe/fyae038]
Solution Calculators
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