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ASIC1a antagonist-1

CAT: 0931-T211667-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T211667-01Size:10 mg
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CAS Number
1787243-08-6
Target
Sodium Channel
Related Pathways
Membrane transporter/Ion channel
Bioactivity
ASIC1a antagonist-1 (Compound 5b) is an orthosteric non-competitive antagonist of the acid-sensing ion channel 1a (ASIC1a) with an IC50 of 27 nM at pH 6.7. It alters the pH dependency of ASIC1a activation and suppresses its maximum response. Additionally, ASIC1a antagonist-1 completely inhibits the induction of long-term potentiation (LTP) in the CA3-CA1 pathway. This compound is useful for research into brain diseases and pathologies.
Smiles
O=C1OC2=C(C=C1C(N)=N)C=CC(N(CCN(CC)CC)CC3=CC=C(C=C3)Cl)=C2.Cl.Cl
Molecular Formula
C23H29Cl3N4O2
Molecular Weight
499.86
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

ASIC1a inhibitor 5b
CAS Number1787243-08-6
PubChem CID177806057
IUPAC Name7-[(4-chlorophenyl)methyl-[2-(diethylamino)ethyl]amino]-2-oxochromene-3-carboximidamide;dihydrochloride
Molecular FormulaC23H29Cl3N4O2
Molecular Weight499.9
Topological Polar Surface Area82.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity629
SMILES
CCN(CC)CCN(CC1=CC=C(C=C1)Cl)C2=CC3=C(C=C2)C=C(C(=O)O3)C(=N)N.Cl.Cl
InChI
InChI=1S/C23H27ClN4O2.2ClH/c1-3-27(4-2)11-12-28(15-16-5-8-18(24)9-6-16)19-10-7-17-13-20(22(25)26)23(29)30-21(17)14-19;;/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H3,25,26);2*1H
InChIKey
AIKXFRPJOUOSNE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ASIC1a inhibitor 5b
CAS: 1787243-08-6
CID: 177806057
Formula: C23H29Cl3N4O2
MW: 499.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight499.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass498.135609
Monoisotopic Mass498.135609
Topological Polar Surface Area82.7 Ų
Heavy Atom Count32
Formal Charge0
Complexity629
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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