Molecular Details
DICL_CP_0307545
- 2-amino-4-sulfanylbutanoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307545
PubChem CID
Molecular Formula
C4H9NO2S Molecular Weight
135.188 g/mol
Synonyms/Alias
[DL-Homocysteine; 454-29-5; 2-Amino-4-mercaptobutanoic acid; 2-Amino-4-mercaptobutyric acid; 2-amino-4-sulfanylbutanoic acid; DL-Homocysteine; Homocysteine; dl-; (+-)-Homocysteine; USAF B-12; (+/-)-Ho...
InChI Key
FFFHZYDWPBMWHY-UHFFFAOYSA-N
InChI
InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)
IUPAC Name
2-amino-4-sulfanylbutanoic acid
CAS Number
2922060-79-3
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
17 16 0 0 0 0 0 0 0 0999 V2000
0.4642 0.4000 -0.5257 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8510 -0.1924 -0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1200 0.714...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor ionotropic (GluN1/2C)
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 80000 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Extracellular solution pH 7.4/Intracellular solution pH 7.2
Holding Potential
−55 mV mV
Temperature
23–25 °C
Test Method
Patch-clamping
Test Species
HEK cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
8
Rotatable Bonds
3
logP
-0.2818
Complexity
34.0812
TPSA (Ų)
63.32
H-Bond Donors
3
H-Bond Acceptors
3
Ring Count
0