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BPDBA

CAT: 0804-HY-119591-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-119591-06Size:100 mg
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Description
BPDBA is a selective and noncompetitive betaine/GABA transporter (BGT-1) inhibitor with IC50s of 20 μM and 35 μM against human BGT-1 and mouse GAT2, respectively[1].
CAS Number
312281-74-6
Product Name Alternative
Y-39983 (free base)
UNSPSC
12352005
Target
GABA Receptor
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/bpdba.html
Concentration
10mM
Purity
99.40
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(NC1CCN(CC2=CC=CC=C2)CC1)C3=CC=C(Cl)C=C3Cl
Molecular Formula
C19H20Cl2N2O
Molecular Weight
363.28
References & Citations
[1]Kragholm B, et al. Discovery of a subtype selective inhibitor of the human betaine/GABA transporter 1 (BGT-1) with a non-competitive pharmacological profile. Biochem Pharmacol. 2013 Aug 15;86 (4) :521-8.
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

N-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide

inhibits the betaine-GABA transporter 1; structure in first source

CAS Number312281-74-6
PubChem CID1069892
IUPAC NameN-(1-benzylpiperidin-4-yl)-2,4-dichlorobenzamide
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.3
XLogP4.5
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity406
SMILES
C1CN(CCC1NC(=O)C2=C(C=C(C=C2)Cl)Cl)CC3=CC=CC=C3
InChI
InChI=1S/C19H20Cl2N2O/c20-15-6-7-17(18(21)12-15)19(24)22-16-8-10-23(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H,22,24)
InChIKey
OIDACLQVAGIDMT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide
CAS: 312281-74-6
CID: 1069892
Formula: C19H20Cl2N2O
MW: 363.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight363.3
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass362.0952687
Monoisotopic Mass362.0952687
Topological Polar Surface Area32.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity406
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

Alternative Products

CatalogName
T26891-01BPDBA

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