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AE-ITU (dihydrobromide)

CAT: 0804-HY-131929-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-131929-01Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AE-ITU dihydrobromide is the dihydrobromide form of AE-ITU. AE-ITU dihydrobromide is a selective inhibitor for inducible NO synthase (iNOS), and attenuates the liver dysfunction caused by endotoxaemia in rats[1].
CAS Number
56-10-0
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
NO Synthase
Type
Reference compound
Related Pathways
Immunology/Inflammation
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/ae-itu-dihydrobromide.html
Purity
98.0
Solubility
H2O : ≥ 100 mg/mL
Smiles
NC(SCCN)=N.[H]Br.[H]Br
Molecular Formula
C3H11Br2N3S
Molecular Weight
281.01
Precautions
H302, H315, H319, H335
References & Citations
[1]Thiemermann C, et al., The multiple organ dysfunction syndrome caused by endotoxin in the rat: attenuation of liver dysfunction by inhibitors of nitric oxide synthase. Br J Pharmacol. 1995 Dec;116 (7) :2845-51.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
INOS

Chemical Information

S-(2-Aminoethyl)isothiuronium bromide hydrobromide
CAS Number56-10-0
PubChem CID5940
IUPAC Name2-aminoethyl carbamimidothioate;dihydrobromide
Molecular FormulaC3H11Br2N3S
Molecular Weight281.02
Topological Polar Surface Area101
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity63
SMILES
C(CSC(=N)N)N.Br.Br
InChI
InChI=1S/C3H9N3S.2BrH/c4-1-2-7-3(5)6;;/h1-2,4H2,(H3,5,6);2*1H
InChIKey
XDVMCVGTDUKDHL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of S-(2-Aminoethyl)isothiuronium bromide hydrobromide
CAS: 56-10-0
CID: 5940
Formula: C3H11Br2N3S
MW: 281.02
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight281.02
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass280.90199
Monoisotopic Mass278.90404
Topological Polar Surface Area101 Ų
Heavy Atom Count9
Formal Charge0
Complexity63.2
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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