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Bifendatatum - 97%, high purity , CAS No.73536-69-3

7 Citations COA COA
    Grade & Purity:
  • ≥97%
In stock
Item Number
B186319
Grouped product items
SKU Size
Availability
 Price Qty
B186319-250mg
250mg
3
$9.90
B186319-1g
1g
3
$15.90
B186319-5g
5g
3
$22.90
B186319-25g
25g
3
$76.90
B186319-100g
100g
1
$277.90
B186319-500g
500g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$1,246.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet
View related series
Anti-infection (2803) Atg and Atg-related Protein (135) Autophagy (1917) HBV (114) Lipid metabolism (1912) Membrane Transporter (607) Virus (1811)

Basic Description

Synonyms BDBM50289527 | Tox21_303479 | UNII-0G32E321W1 | 7,7'-Dimethoxy-(4,4'-bi-1,3-benzodioxole)-5,5'-dicarboxylic acid dimethyl ester | Dimethyl 7,7 inverted exclamation mark -Dimethoxy-[4,4 inverted exclamation mark -bi-1,3-benzodioxole]-5,5 inverted exclamati
Specifications & Purity ≥97%
Storage Temp Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description

Bifendate, a synthetic intermediate of schisandrin C, is an anti-HBV drug used in Chinese medicine for the treatment of chronic hepatitis B.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Phenylpropanoids and polyketides
Class Tannins
Subclass Hydrolyzable tannins
Intermediate Tree Nodes Not available
Direct Parent Hydrolyzable tannins
Alternative Parents Gallic acid and derivatives  M-methoxybenzoic acids and derivatives  Benzodioxoles  Anisoles  Alkyl aryl ethers  Dicarboxylic acids and derivatives  Methyl esters  Oxacyclic compounds  Acetals  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Hydrolyzable tannin - Gallic acid or derivatives - M-methoxybenzoic acid or derivatives - Benzodioxole - Anisole - Alkyl aryl ether - Dicarboxylic acid or derivatives - Benzenoid - Methyl ester - Carboxylic acid ester - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit.
External Descriptors Not available

Associated Targets(Human)

ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
K562 (73714 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HepG2 (196354 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MDA-MB-231 (73002 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
K562/A02 (383 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
L02 (4864 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Abcb1b P-glycoprotein 1 (174 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mus musculus (284745 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PC-12 (7051 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BCHE Cholinesterase (8742 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Liver microsome (341 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SARS-CoV-2 (38078 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 504756654
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504756654
IUPAC Name methyl 7-methoxy-4-(7-methoxy-5-methoxycarbonyl-1,3-benzodioxol-4-yl)-1,3-benzodioxole-5-carboxylate
INCHI InChI=1S/C20H18O10/c1-23-11-5-9(19(21)25-3)13(17-15(11)27-7-29-17)14-10(20(22)26-4)6-12(24-2)16-18(14)30-8-28-16/h5-6H,7-8H2,1-4H3
InChIKey JMZOMFYRADAWOG-UHFFFAOYSA-N
Smiles COC1=C2C(=C(C(=C1)C(=O)OC)C3=C4C(=C(C=C3C(=O)OC)OC)OCO4)OCO2
Isomeric SMILES COC1=C2C(=C(C(=C1)C(=O)OC)C3=C4C(=C(C=C3C(=O)OC)OC)OCO4)OCO2
Alternate CAS 73536-69-3
MeSH Entry Terms 7,7'-dimethoxy-(4,4'-bi-1,3-benzodioxole)-5,5'-dicarboxylic acid dimethyl ester;alpha-diphenyldicarboxylate;BDD;biphenyl dimethyl-dicarboxylate;dimethyl 4,4'-dimethoxy-5,6,5',6'-dimethylenedioxybiphenyl-2,2'-dicarboxylate;dimethyl diphenyl bicarboxylate;d
Molecular Weight 418.4
Reaxy-Rn 5461320
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5461320&ln=

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.

8 results found

Lot Number Certificate Type Date Item
D2524028 Certificate of Analysis May 05, 2025 B186319
E2516236 Certificate of Analysis Jul 23, 2024 B186319
E2516237 Certificate of Analysis Jul 23, 2024 B186319
B2306905 Certificate of Analysis Feb 17, 2023 B186319
J2424021 Certificate of Analysis Dec 21, 2022 B186319
L2208692 Certificate of Analysis Dec 21, 2022 B186319
K2323103 Certificate of Analysis Jan 21, 2022 B186319
C1904020 Certificate of Analysis Jan 21, 2022 B186319

Chemical and Physical Properties

Sensitivity Air Sensitive,Heat Sensitive
Melt Point(°C) 181 °C
Molecular Weight 418.300 g/mol
XLogP3 2.800
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 7
Exact Mass 418.09 Da
Monoisotopic Mass 418.09 Da
Topological Polar Surface Area 108.000 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 587.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Citations of This Product

How to Cite Aladdin Scientific Products?
1. Peng Lei, Zhirong Zhou, Jierong Pei, Li Jia, Lifeng Han, Miaomiao Jiang.  (2024)  Extraction process optimization of alisol B 23-acetate from Alismatis Rhizoma and its protection against carbon tetrachloride-induced acute liver injury.  Arabian Journal of Chemistry,  17  (105479). 
2. Weigang Yuan, Fenglei Jian, Yueguang Rong.  (2022)  Bifendate inhibits autophagy at multiple steps and attenuates oleic acid-induced lipid accumulation.  BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS,  631  (115). 
3. Yang Xin-Bin, Huang Yu.  (2020)  Protective effects of apigenin, apigenin-8-sulfonate, and apigenin-3′, 8-disulfonate on d-galactosamine-induced acute liver damage in mice.  MEDICINAL CHEMISTRY RESEARCH,  29  (10): (1867-1873). 
4. Yue Shuwen, Xue Ning, Li Honglei, Huang Baosheng, Chen Zhen, Wang Xing.  (2020)  Hepatoprotective Effect of Apigenin Against Liver Injury via the Non-canonical NF-κB Pathway In Vivo and In Vitro.  INFLAMMATION,  43  (5): (1634-1648). 
5. Hongyan Zhang, Fengjiao Bu, Lei Li, Zheng Jiao, Guo Ma, Weimin Cai, Xiaomei Zhuang, Hai-Shu Lin, Jae-Gook Shin, Xiaoqiang Xiang.  (2017)  Prediction of Drug–Drug Interaction between Tacrolimus and Principal Ingredients of Wuzhi Capsule in Chinese Healthy Volunteers Using Physiologically-Based Pharmacokinetic Modelling.  BASIC & CLINICAL PHARMACOLOGY & TOXICOLOGY,  122  (3): (331-340). 
6. Qiaozhen Zhu, Yizhuo Jiang, Wenyuan Lin, Mengju Gao, Xiaoyang Chen, Xinyu Li, Haofei Wang, Xinli Niu, Junpeng Wang.  (2024)  Naringin as a natural candidate for anti-autoimmune hepatitis: Inhibitory potency and hepatoprotective mechanism.  PHYTOMEDICINE,  129  (155722). 
7. Yueyao Gui, Bing Zheng, Hairong Huang, Jianhua Xie, Yi Chen, Jialuo Shan, Xingxing Chang, Xiaobo Hu, Qiang Yu.  (2024)  Protective effects of polysaccharides from Polygonatum cyrtonema on the acute alcohol induced liver damage.  Food Bioscience,  61  (104879). 

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