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7-BIA

CAT: 0804-HY-115496-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-115496-01Size:5 mg
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Description
7-BIA is a receptor-type protein tyrosine phosphatase D (PTPRD) inhibitor with an IC50 of ~1-3 μM[1].
CAS Number
1313403-49-4
Product Name Alternative
LCB01-0371
UNSPSC
12352005
Target
Phosphatase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/7-bia.html
Purity
98.0
Solubility
DMSO : 125 mg/mL (ultrasonic) |Ethanol : 50 mg/mL (ultrasonic)
Smiles
O=CC1=C(C2=CC(OCCCC)=C1OC)CC(O)OC2=O
Molecular Formula
C15H18O6
Molecular Weight
294.30
References & Citations
[1]Uhl GR, et al. Cocaine reward is reduced by decreased expression of receptor-type protein tyrosinephosphatase D (PTPRD) and by a novel PTPRD antagonist. Proc Natl Acad Sci U S A. 2018 Nov 6;115 (45) :11597-11602.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

7-Butoxy-3-hydroxy-6-methoxy-1-oxo-3,4-dihydroisochromene-5-carbaldehyde
CAS Number1313403-49-4
PubChem CID137321149
IUPAC Name7-butoxy-3-hydroxy-6-methoxy-1-oxo-3,4-dihydroisochromene-5-carbaldehyde
Molecular FormulaC15H18O6
Molecular Weight294.30
XLogP1.9
Topological Polar Surface Area82.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity371
SMILES
CCCCOC1=C(C(=C2CC(OC(=O)C2=C1)O)C=O)OC
InChI
InChI=1S/C15H18O6/c1-3-4-5-20-12-6-10-9(7-13(17)21-15(10)18)11(8-16)14(12)19-2/h6,8,13,17H,3-5,7H2,1-2H3
InChIKey
DAVCIYWSVYDJKW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Butoxy-3-hydroxy-6-methoxy-1-oxo-3,4-dihydroisochromene-5-carbaldehyde
CAS: 1313403-49-4
CID: 137321149
Formula: C15H18O6
MW: 294.30
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight294.30
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass294.11033829
Monoisotopic Mass294.11033829
Topological Polar Surface Area82.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity371
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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