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Bicyclol

CAT: 0013-GTR19161324-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19161324-02Size:500 mg
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Description
Bicyclol, also known as SY 801, is a hepatoprotective agent. Bicyclol upregulates transcription factor Nrf2, HO-1 expression and protects rat brains against focal ischemia. Bicyclol induces cell cycle arrest and autophagy in HepG2 human hepatocellular carcinoma cells through the PI3K/AKT and Ras/Raf/MEK/ERK pathways. Bicyclol attenuates tetracycline-induced fatty liver associated with inhibition of hepatic ER stress and apoptosis in mice. Bicyclol promotes toll-like 2 receptor recruiting inosine 5'-monophosphate dehydrogenase II to exert its anti-inflammatory effect.
CAS Number
118159-48-1
Product Name Alternative
Bicyclol | SY 801 | SY-801 | SY801
Purity
>98% (HPLC)
Solubility
DMSO : ≥ 68 mg/mL. 174.21 mM
Smiles
COc1c2c (c (c (c1) CO) c1c3c (c (cc1C (=O) OC) OC) OCO3) OCO2
Molecular Formula
C19H18O9
Molecular Weight
390.34
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
5'- (hydroxymethyl) -7,7'-dimethoxy-[4,4'-bi-1,3-benzodioxole]-5-carboxylic acid, methyl ester

Chemical Information

Bicyclol

Bicyclol is under investigation in clinical trial NCT02944552 (The Multi Center, Randomized, Double-blind, Positive Controlled Study of Bicyclol in the Treatment of Acute DILI).

CAS Number118159-48-1
PubChem CID9821754
IUPAC Namemethyl 4-[5-(hydroxymethyl)-7-methoxy-1,3-benzodioxol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxylate
Molecular FormulaC19H18O9
Molecular Weight390.3
XLogP2.1
Topological Polar Surface Area102
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity558
SMILES
COC1=C2C(=C(C(=C1)CO)C3=C4C(=C(C=C3C(=O)OC)OC)OCO4)OCO2
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
Chemical Structure
2D Structure
2D structure of Bicyclol
CAS: 118159-48-1
CID: 9821754
Formula: C19H18O9
MW: 390.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.3
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass390.09508215
Monoisotopic Mass390.09508215
Topological Polar Surface Area102 Ų
Heavy Atom Count28
Formal Charge0
Complexity558
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-B0766-01Bicyclol
A18133-5Bicyclol 5mg
A18133-50Bicyclol 50mg
A18133-25Bicyclol 25mg
A18133-100Bicyclol 100mg
A18133-10Bicyclol 10mg
RM-B032501-01Bicyclol Impurity A
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