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VUF 8430 (dihydrobromide)

CAT: 0804-HY-107555-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-107555-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
VUF 8430 (dihydrobromide) is a potent and selective histamine H4 receptor agonist with a Ki of 31.6 nM and an EC50 of 50 nM[1].
CAS Number
100130-32-3
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
Histamine Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Immunology/Inflammation; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/vuf-8430-dihydrobromide.html
Purity
98.00
Solubility
H2O : 125 mg/mL (ultrasonic)
Smiles
N=C(N)SCCNC(N)=N.[H]Br.[H]Br
Molecular Formula
C4H13Br2N5S
Molecular Weight
323.05
Precautions
H302, H315, H319, H335
References & Citations
[1]Lim HD, et al. Discovery of S- (2-guanidylethyl) -isothiourea (VUF 8430) as a potent nonimidazole histamine H4 receptor agonist. J Med Chem. 2006 Nov 16;49 (23) :6650-1.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
H4 Receptor

Chemical Information

Pseudourea, 2-(2-guanidinoethyl)-2-thio-, dihydrobromide
CAS Number100130-32-3
PubChem CID3063227
IUPAC Name2-(diaminomethylideneamino)ethyl carbamimidothioate;dihydrobromide
Molecular FormulaC4H13Br2N5S
Molecular Weight323.06
Topological Polar Surface Area140
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity139
SMILES
C(CSC(=N)N)N=C(N)N.Br.Br
InChI
InChI=1S/C4H11N5S.2BrH/c5-3(6)9-1-2-10-4(7)8;;/h1-2H2,(H3,7,8)(H4,5,6,9);2*1H
InChIKey
GPWJSTKHQMIXCA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pseudourea, 2-(2-guanidinoethyl)-2-thio-, dihydrobromide
CAS: 100130-32-3
CID: 3063227
Formula: C4H13Br2N5S
MW: 323.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight323.06
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass322.92379
Monoisotopic Mass320.92584
Topological Polar Surface Area140 Ų
Heavy Atom Count12
Formal Charge0
Complexity139
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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