General
Preferred name
AMINOETHOXYDIPHENYLBORANE
Synonyms
2-APB ()
2-Aminoethoxydiphenyl Borate, 2-(Diphenylboryloxy)Ethanamine ()
2-Aminoethoxydiphenyl borate ()
2-Aminoethyl diphenylborinate ()
2-Aminoethyl Diphenylborinate (2-APB) ()
P&D ID
PD000617
CAS
524-95-8
Tags
available
drug candidate
Drug indication
Discovery agent
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION 2-Aminoethyl diphenylborinate (2-APB) is a cell-permeable inhibitor of Inositol triphosphate receptor (IP3R). 2-Aminoethyl diphenylborinate also inhibits the store-operated Ca2+ (SOC) channel and activates some TRP channels (V1, V2 and V3). Additionally, 2-Aminoethyl diphenylborinate has inhibitory effects on vasospasm. At high concentrations, it exhibits specific anti-inflammatory and antioxidant effects in neural tissue[1][2][3][4][5].
PRICE 29
DESCRIPTION Selective, competitive P2X1 antagonist (Tocris Bioactive Compound Library)
DESCRIPTION 2-APB, a transient receptor potential (TRP) activator for TRPV1, TRPV2, and TRPV3, could probably be used against diseases caused by hypersensitivity and temperature misregulation. (BOC Sciences Bioactive Compounds)
DESCRIPTION IP3 receptor antagonist. Also TRP channel modulator (Tocriscreen Total)
DESCRIPTION 2-Aminoethyl diphenylborinate (2-APB) is a chemical compound that inhibits IP3 receptors and TRP channels, though it activates TRPV1, TRPV2, and TRPV3 at higher concentrations. (TargetMol Bioactive Compound Library)
Compound Sets
18
BOC Sciences Bioactive Compounds
2-apb-cas-524-95-8-12251
Concise Guide to Pharmacology 2017/18
2433
Concise Guide to Pharmacology 2019/20
2433
Concise Guide to Pharmacology 2021/22
2433
Concise Guide to Pharmacology 2023/24
2433
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugMAP
DM9AKVR
EU-OPENSCREEN Bioactive Compound Library
EOS102350
Guide to Pharmacology
2433
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL169233
MedChem Express Bioactive Compound Library
HY-W009724
Novartis Chemogenetic Library (NIBR MoA Box)
Selleckchem Bioactive Compound Library
2-aminoethyl-diphenylborinate
TargetMol Bioactive Compound Library
T4693
The Spectrum Collection
Tocris Bioactive Compound Library
1224
Tocriscreen Total
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
225.13
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
5
Ring Count
2
Aromatic Ring Count
2
cLogP
0.77
TPSA
35.25
Fraction CSP3
0.14
Chiral centers
0.0
Largest ring
6.0
QED
0.76
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Calcium Channel
IP3 receptor
TRP Channel
TRPC6
TRPM8
TRPV1
TRPV2
TRPV3
TRPC1, TRPC3, TRPC4, TRPC5, TRPC6, TRPC7, TRPM2, TRPM3, TRPM6, TRPV1, TRPV6
CRAC channel
Calcium Channel,TRP Channel
Primary Target
IP3 Receptors
MOA
TRP/TRPV Channel
Antagonist
Inositol Triphosphate IP3 Receptor Antagonists
Gap junction modulators
1,4,5-trisphosphate inhibitor
Member status
member
Pathway
Membrane Transporter/Ion Channel
Metabolism
Neuronal Signaling
Source data