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HDDAH-1-IN-1 TFA

CAT: 0013-GTR19229742-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19229742-01Size:25 mg
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Description
HDDAH-1-IN-1 TFA is a potent and selective catalytic site inhibitor of human dimethylarginine dimethylaminohydrolase-1, exhibiting a Ki of 18 μM. This non-amino acid compound is a valuable chemical probe for in vitro studies investigating the role of DDAH-1 in nitric oxide synthase regulation and cardiovascular pathophysiology.
CAS Number
1229238-70-3
Field of Research
Immunology & Inflammation
Smiles
O=C (C (F) (F) F) O.N=C (NCCCCN) NCCOC.O=C (C (F) (F) F) O
Molecular Formula
C12H22F6N4O5
Molecular Weight
416.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

hDDAH-1-IN-1 TFA
CAS Number1229238-70-3
PubChem CID46215974
IUPAC Name2-(4-aminobutyl)-1-(2-methoxyethyl)guanidine;bis(2,2,2-trifluoroacetic acid)
Molecular FormulaC12H22F6N4O5
Molecular Weight416.32
Topological Polar Surface Area160
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity222
SMILES
COCCNC(=NCCCCN)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C8H20N4O.2C2HF3O2/c1-13-7-6-12-8(10)11-5-3-2-4-9;2*3-2(4,5)1(6)7/h2-7,9H2,1H3,(H3,10,11,12);2*(H,6,7)
InChIKey
XIZCXZOQUJTQLD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of hDDAH-1-IN-1 TFA
CAS: 1229238-70-3
CID: 46215974
Formula: C12H22F6N4O5
MW: 416.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.32
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Exact Mass416.14943879
Monoisotopic Mass416.14943879
Topological Polar Surface Area160 Ų
Heavy Atom Count27
Formal Charge0
Complexity222
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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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
T11545L-01HDDAH-1-IN-2 sulfate (2408834-77-3 free base)
OF59775-011,1,1,1,1-Kestoheptaose
N2864-5.11,1,1,1-Kestohexaose
1120401,1,1,1-Kestohexose

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