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HDDAH-1-IN-1

CAT: 0013-GTR19205654-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205654-01Size:25 mg
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Description
HDDAH-1-IN-1 is a selective, non-amino acid inhibitor targeting the catalytic site of human DDAH-1, exhibiting a Ki of 18 μM. This compound is a valuable research tool for investigating nitric oxide synthase regulation and has been utilized in both cellular and animal models of cardiovascular and renal pathophysiology.
CAS Number
1229238-69-0
Field of Research
Immunology & Inflammation
Smiles
C (NCCCCN) (NCCOC) =N
Molecular Formula
C8H20N4O
Molecular Weight
188.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

hDDAH-1-IN-1
CAS Number1229238-69-0
PubChem CID46215975
IUPAC Name2-(4-aminobutyl)-1-(2-methoxyethyl)guanidine
Molecular FormulaC8H20N4O
Molecular Weight188.27
XLogP-1.3
Topological Polar Surface Area85.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count13
Formal Charge0
Complexity138
SMILES
COCCNC(=NCCCCN)N
InChI
InChI=1S/C8H20N4O/c1-13-7-6-12-8(10)11-5-3-2-4-9/h2-7,9H2,1H3,(H3,10,11,12)
InChIKey
SJQJFADASWPDIQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of hDDAH-1-IN-1
CAS: 1229238-69-0
CID: 46215975
Formula: C8H20N4O
MW: 188.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.27
XLogP3-1.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass188.16371127
Monoisotopic Mass188.16371127
Topological Polar Surface Area85.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity138
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

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Alternative Products

CatalogName
MBS5766802hDDAH-1-IN-1
MBS5766796hDDAH-1-IN-2
MBS5766803hDDAH-1-IN-1 TFA
HY-133126AHDDAH-1-IN-1 (TFA)
HY-133145AHDDAH-1-IN-2 (sulfate)
MBS5804619hDDAH-1-IN-2 sulfate
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