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Bicyclol - 98% (HPLC), high purity , CAS No.118159-48-1

2 Citations

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 118159-48-1
Molecular Weight: 390.34
PubChem CID: 9821754
PubChem SID: 488196331

In stock

Item Number

B166247

Grouped product items
SKU	Size	Availability	Price
B166247-5mg	5mg	5	$77.90
B166247-10mg	10mg	4	$129.90
B166247-25mg	25mg	3	$286.90
B166247-50mg	50mg	2	$547.90
B166247-100mg	100mg	2	$986.90

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Basic Description

Synonyms	4,4'-Bi-1,3-benzodioxole)-5-carboxylic acid, 5'-(hydroxymethyl)-7,7'-dimethoxy-, methyl ester \| 5'-(hydroxymethyl)-7,7'-dimethoxy-[4,4'-bi-1,3-benzodioxole]-5-carboxylic acid, methyl ester \| s6453 \| AKOS016007877 \| Q27271958 \| SY801 \| HY-B0766 \| BCP25554
Specifications & Purity	≥98%(HPLC)
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Product Introduction Bicyclol(SY 801) is an anti-hepatitis drug. Oral administration of bicyclol normalizes the elevated serum transaminases (ALT, AST) by 50% in chronic viral hepatitis B and C, and also has a certain level of inhibiting HBV and HCV replication. In combination therapy of bicyclol with interferon alpha, lamivudine and adefovir dipivoxil in HBV or HCV, bicyclol may reduce YMDD mutant and side effects and increase the anti-viral efficacy.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Tannins
    - Subclass Hydrolyzable tannins

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 Methyl esters Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Primary alcohols Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Hydrolyzable tannin - Gallic acid or derivatives - M-methoxybenzoic acid or derivatives - Benzodioxole - Anisole - Alkyl aryl ether - Benzenoid - Methyl ester - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Acetal - Carboxylic acid derivative - Ether - Aromatic alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Primary alcohol - Alcohol - 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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

HepG2 (196354 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

L02 (4864 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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	488196331
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488196331
IUPAC Name	methyl 4-[5-(hydroxymethyl)-7-methoxy-1,3-benzodioxol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxylate
INCHI	InChI=1S/C19H18O9/c1-22-11-4-9(6-20)13(17-15(11)25-7-27-17)14-10(19(21)24-3)5-12(23-2)16-18(14)28-8-26-16/h4-5,20H,6-8H2,1-3H3
InChIKey	KXMTXZACPVCDMH-UHFFFAOYSA-N
Smiles	COC1=C2C(=C(C(=C1)CO)C3=C4C(=C(C=C3C(=O)OC)OC)OCO4)OCO2
Isomeric SMILES	COC1=C2C(=C(C(=C1)CO)C3=C4C(=C(C=C3C(=O)OC)OC)OCO4)OCO2
RTECS	DT4312000
Molecular Weight	390.34
Reaxy-Rn	10384816
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10384816&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.

15 results found

Lot Number	Certificate Type	Date	Item
G2315422	Certificate of Analysis	Jul 08, 2023	B166247
G2315416	Certificate of Analysis	Jul 08, 2023	B166247
G2315415	Certificate of Analysis	Jul 08, 2023	B166247
G2315413	Certificate of Analysis	Jul 08, 2023	B166247
G2315400	Certificate of Analysis	Jul 08, 2023	B166247
C2321600	Certificate of Analysis	Feb 03, 2023	B166247
C2321399	Certificate of Analysis	Feb 03, 2023	B166247
C2321343	Certificate of Analysis	Feb 03, 2023	B166247
C2321563	Certificate of Analysis	Feb 03, 2023	B166247
C2321369	Certificate of Analysis	Feb 03, 2023	B166247
C2321544	Certificate of Analysis	Feb 03, 2023	B166247
C2321593	Certificate of Analysis	Feb 03, 2023	B166247
C2321551	Certificate of Analysis	Feb 03, 2023	B166247
C2321527	Certificate of Analysis	Feb 03, 2023	B166247
C2321556	Certificate of Analysis	Feb 03, 2023	B166247

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Chemical and Physical Properties

Solubility	DMSO: 68 mg/mL
Molecular Weight	390.300 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Exact Mass	390.095 Da
Monoisotopic Mass	390.095 Da
Topological Polar Surface Area	102.000 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	558.000
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. Qu-Jing Luo, Wen-Chao Zhou, Xin-Yi Liu, Ya-Jie Li, Qing-Ling Xie, Bin Wang, Chao Liu, Wen-Mao Wang, Wei Wang, Xu-Dong Zhou. (2023) Chemical Constituents and α-Glucosidase Inhibitory, Antioxidant and Hepatoprotective Activities of Ampelopsis grossedentata. MOLECULES, 28 (24): (7956).
2. Fengping Chen, Haizhu Zou, Ping Zhang, Yuqi Yan. (2023) Investigation on the in vitro metabolism of bicyclol using liver microsomes, hepatocytes and human recombinant cytochrome P450 enzymes. XENOBIOTICA,

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