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DDMS

CAT: 0804-HY-121188-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-121188-04Size:25 mg
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Description
DDMS (Dibromo-dodecenyl-methylsulfimide) is a selective 20-HETE production inhibitor. DDMS attenuates the vasodilatory response to sodium nitroprusside (SNP) [1].
CAS Number
206052-03-1
Product Name Alternative
Dibromo-dodecenyl-methylsulfimide
UNSPSC
12352211
Hazard Statement
H302, H314
Target
Cytochrome P450
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/ddms.html
Purity
99.19
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
Br/C(Br)=C\CCCCCCCCCC(NS(=O)(C)=O)=O
Molecular Formula
C13H23Br2NO3S
Molecular Weight
433.20
Precautions
H302, H314
References & Citations
[1]Alonso-Galicia M, et al. Inhibition of 20-HETE production contributes to the vascular responses to nitric oxide. Hypertension. 1997 Jan;29 (1 Pt 2) :320-5.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

12,12-Dibromo-N-(methylsulfonyl)-11-dodecenamide
CAS Number206052-03-1
PubChem CID11212661
IUPAC Name12,12-dibromo-N-methylsulfonyldodec-11-enamide
Molecular FormulaC13H23Br2NO3S
Molecular Weight433.20
XLogP5
Topological Polar Surface Area71.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Heavy Atom Count20
Formal Charge0
Complexity398
SMILES
CS(=O)(=O)NC(=O)CCCCCCCCCC=C(Br)Br
InChI
InChI=1S/C13H23Br2NO3S/c1-20(18,19)16-13(17)11-9-7-5-3-2-4-6-8-10-12(14)15/h10H,2-9,11H2,1H3,(H,16,17)
InChIKey
BDCZFOHEQGRTBW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 12,12-Dibromo-N-(methylsulfonyl)-11-dodecenamide
CAS: 206052-03-1
CID: 11212661
Formula: C13H23Br2NO3S
MW: 433.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight433.20
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Exact Mass432.97449
Monoisotopic Mass430.97654
Topological Polar Surface Area71.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity398
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