Psoralen - ≥98% , CAS No.66-97-7

CAS: 66-97-7 Cat. No.: P101249 Molecular Weight: 186.16 Beilstein Registry Number: 152784 EC Number: 200-639-7
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
7H-Furo(3,2-g)(1)benzopyran-7-one | BRD-K47264279-001-01-4 | DTXSID00216205 | 6-hydroxy-5-benzofuranacrylic Acid deta-lacton | Furo[2'.3':7.6]coumarin | HY-N0053 | P2077 | 6,7-Furanocoumarin | BCP04177 | Furo(2',3',7,6)coumarin | Psoralen,(S) | 2-Propenoi
Storage
Store at 2-8°C
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
25mg
P101249-25mg
1
$53.90
100mg
P101249-100mg
3
$192.90
500mg
P101249-500mg
1
$693.90
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

Cited in 15 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Photochemical reagent for the investigation of nucleic acid structure and function.

Specifications

Synonyms
7H-Furo(3, 2-g)(1)benzopyran-7-one | BRD-K47264279-001-01-4 | DTXSID00216205 | 6-hydroxy-5-benzofuranacrylic Acid deta-lacton | Furo[2'.3':7.6]coumarin | HY-N0053 | P2077 | 6, 7-Furanocoumarin | BCP04177 | Furo(2', 3', 7, 6)coumarin | Psoralen, (S) | 2-Propenoi
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
Phototoxic phytoalexin; when activated by UV light, psoralen induces interstrand cross-links in DNA.Covalently cross-links DNA to produce toxic lesions. Activated by UV light at wavelengths 320 to 400 nm. Photosensitizing, cross-linking and anthelmintic a
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
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
Pubchem Sid504751020
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504751020
Canonical SmilesC1=CC(=O)OC2=CC3=C(C=CO3)C=C21
IUPAC Namefuro[3,2-g]chromen-7-one
InChIKeyZCCUUQDIBDJBTK-UHFFFAOYSA-N
INCHI1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
Isomeric SMILES C1=CC(=O)OC2=CC3=C(C=CO3)C=C21
WGK Germany 3
RTECS LV0944000
Molecular Weight 186.16
Beilstein 152784
Reaxy-Rn 152784
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=152784&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  Benzenoids  Heteroaromatic compounds  Furans  Lactones  Oxacyclic compounds  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Psoralen - Benzopyran - 1-benzopyran - Benzofuran - Pyranone - Benzenoid - Pyran - Furan - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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 a small molecule
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CYP2A6 Tchem Cytochrome P450 2A6 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TOP2A Tclin DNA topoisomerase II alpha (6317 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
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
CYP1A1 Tchem Cytochrome P450 1A1 (1169 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BACE1 Tchem Beta-secretase 1 (15641 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2B6 Tchem Cytochrome P450 2B6 (1338 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HL-60 (67320 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HT-29 (80576 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
K562 (73714 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LoVo (4724 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCT-116 (91556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SIRT1 Tchem NAD-dependent deacetylase sirtuin 1 (3505 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nannizzia gypsea (2039 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Helicobacter pylori (3113 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Salmonella typhimurium (15756 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Shigella flexneri (1836 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Micrococcus luteus (7463 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus epidermidis (22802 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Bacillus subtilis (32866 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trypanosoma brucei brucei (13300 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trichophyton rubrum (3646 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Caenorhabditis elegans (1055 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Human immunodeficiency virus (3636 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
B16 (5829 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ehrlich (1318 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
B16-F10 (4610 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
lef Anthrax lethal factor (7585 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BALB/3T3 (534 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Bursaphelenchus xylophilus (372 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Panagrellus redivivus (38 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SARS-CoV-2 (38078 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.

11 results found

Lot NumberCertificate TypeDateItem
F2622514Certificate of AnalysisJun 24, 2026 P101249
F2622515Certificate of AnalysisJun 24, 2026 P101249
F2622530Certificate of AnalysisJun 24, 2026 P101249
D2409339Certificate of AnalysisJul 11, 2024 P101249
D2409340Certificate of AnalysisJul 11, 2024 P101249
D2409341Certificate of AnalysisJul 11, 2024 P101249
D2409342Certificate of AnalysisJul 11, 2024 P101249
B2304423Certificate of AnalysisFeb 10, 2023 P101249
B2304858Certificate of AnalysisFeb 10, 2023 P101249
B2304882Certificate of AnalysisFeb 10, 2023 P101249
B2304883Certificate of AnalysisFeb 10, 2023 P101249

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Chemical and Physical Properties
SensitivityHeat sensitive.
Melt Point(°C)163 °C
Molecular Weight186.160 g/mol
XLogP32.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass186.032 Da
Monoisotopic Mass186.032 Da
Topological Polar Surface Area39.400 Ų
Heavy Atom Count14
Formal Charge0
Complexity284.000
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
Documents & Articles
Citations of This Product
References
1. Baofei Yan, Xian Zheng, Yun Wang, Jingwen Yang, Xingyu Zhu, Mengmeng Qiu, Kexin Xia, Yongan Wang, Mian Li, Sipan Li, Xinai Ma, Jianjun Xie, Fengtao Li, Tingming Fu, Wei Li.  (2023)  Liposome-Based Silibinin for Mitigating Nonalcoholic Fatty Liver Disease: Dual Effects via Parenteral and Intestinal Routes.  ACS Pharmacology & Translational Science,      [PMID:38093834] [10.1021/acsptsci.3c00210]
2. Liangliang Han, Libo Zhang, Yuedong He, Lijing Liao, Junde Li, Sheng Xu, Yucheng Zhao, Xiaohong Bian, Yuanzheng Xia.  (2023)  Three carbon-/oxygen-prenyltransferases responsible for furanocoumarin synthesis in Angelica dahurica.  INDUSTRIAL CROPS AND PRODUCTS,      [PMID:] [10.1016/j.indcrop.2023.116814]
3. Yujie Lu, Man Zhang, Jin Zhang, Min Jiang, Gang Bai.  (2023)  Psoralen prevents the inactivation of estradiol and treats osteoporosis via covalently targeting HSD17B2.  JOURNAL OF ETHNOPHARMACOLOGY,      [PMID:36997132] [10.1016/j.jep.2023.116426]
4. Ying-Hui He, Xiao-Fei Shang, Hai-Xin Li, An-Ping Li, Chen Tang, Bao-Qi Zhang, Zhi-Jun Zhang, Rui Wang, Yue Ma, Sha-Sha Du, Yong-Mei Hu, Tian-Lin Wu, Wen-Bin Zhao, Cheng-Jie Yang, Ying-Qian Liu.  (2021)  Antifungal Activity and Action Mechanism Study of Coumarins from Cnidium monnieri Fruit and Structurally Related Compounds.  CHEMISTRY & BIODIVERSITY,  18  (12): (e2100633).  [PMID:34643056] [10.1002/cbdv.202100633]
5. Li Huxiao, Xu Jianrong, Li Xiaotian, Hu Yi, Liao Yue, Zhou Wei, Song Zhongchen.  (2021)  Anti-inflammatory activity of psoralen in human periodontal ligament cells via estrogen receptor signaling pathway.  Scientific Reports,  11  (1): (1-12).  [PMID:33888745] [10.1038/s41598-021-85145-1]
6. Chen Feng, Bai Min, Cao Xiaowen, Xue Jing, Zhao Yue, Wu Na, Wang Lei, Zhang Dexin, Zhao Yongxi.  (2021)  Cellular macromolecules-tethered DNA walking indexing to explore nanoenvironments of chromatin modifications.  Nature Communications,  12  (1): (1-12).  [PMID:33785750] [10.1038/s41467-021-22284-z]
7. Yuling Chen, Rong Wang, Zilin Chen.  (2018)  Sensitive determination of psoralen and isopsoralen in Fructus Psoraleae by online solid phase microextraction with a porphyrin-based porous organic polymer modified capillary.  Analytical Methods,  11  (1): (29-35).  [PMID:] [10.1039/C8AY01885E]
8. Li Xiaotian, Yu Chunbo, Hu Yi, Xia Xinyi, Liao Yue, Zhang Jing, Chen Huiwen, Lu Weili, Zhou Wei, Song Zhongchen.  (2018)  New Application of Psoralen and Angelicin on Periodontitis With Anti-bacterial, Anti-inflammatory, and Osteogenesis Effects.  Frontiers in Cellular and Infection Microbiology,      [PMID:29922598] [10.3389/fcimb.2018.00178]
9. 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]
10. Kai Tian, Jiang Zhu, Xinghui Qiu.  (2024)  Metabolism of Furanocoumarins by Three Recombinant CYP9A Proteins From the Polyphagous Cotton Bollworm Helicoverpa armigera.  ARCHIVES OF INSECT BIOCHEMISTRY AND PHYSIOLOGY,  117  (3): (e70004).  [PMID:39494619] [10.1002/arch.70004]
11. Zaiwei Fan, Jianyuan Gao, Yikun Chen, Qirui Chen, Qingshan Peng, Jiadi Le, Yiming Li, Chunhui Chen, Haihong Jiang, Jun Tao, Yang Zhou.  (2025)  Psoralen remodels the articular cartilage microenvironment by pharmacologically regulating the Nrf2 pathway in osteoarthritis treatment.  INTERNATIONAL IMMUNOPHARMACOLOGY,      [PMID:39914283] [10.1016/j.intimp.2025.114221]
12. Na Li, Xialian Cui, Yingjie Lu, Fang Zhang, Su Guo, Yue Su, Yinlong Guo.  (2025)  Spatial distribution analysis of secondary metabolites in bolted and unbolted Saposhnikovia divaricata by atmospheric pressure laser ablation carbon fiber ionization mass spectrometry imaging.  ANALYTICA CHIMICA ACTA,      [PMID:40374248] [10.1016/j.aca.2025.344096]
13. Yixu Wang, Jin Zhang, Sihan Xu, Junjie Li, Wenjuan Liu, Min Jiang, Gang Bai.  (2025)  Psoralen alleviates acute lung injury by covalently targeting Cys106 of HMGB1 in macrophages to inhibit inflammatory responses.  PHYTOMEDICINE,      [PMID:40311596] [10.1016/j.phymed.2025.156807]
14. Mengying Zhang, Kuiwang Chen, Mengfei Tian, Xiaolong Yang, Jiahui Gong, Qi Liang, Xiaofei Xie, Chunying Li, Chunjian Zhao.  (2025)  A boronate-affinity thermoresponsive molecularly imprinted resin as a green solid-phase extraction filler for highly selective adsorption of psoralen.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.164219]
15. Xinye Shi, Hang Su, Jing Tang, Yajing Zhang, Songtao Li, Yanhui Zhong, Zian Lin.  (2026)  Covalent organic framework-based solid-phase microextraction coupled with electrospray ionization mass spectrometry for in vivo determination of furanocoumarins in citrus fruits.  FOOD CHEMISTRY,      [PMID:41499891] [10.1016/j.foodchem.2025.147841]
Solution Calculators
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