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SQ109

CAT: 0804-HY-14989-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-14989-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SQ109 is a potent inhibitor of the trypomastigote form of the parasite, with IC50 for cell killing of 50±8 nM. SQ109, targets MmpL3, is an antitubercular agent.
CAS Number
502487-67-4
Product Name Alternative
NSC 722041
UNSPSC
12352211
Hazard Statement
H302
Target
Antibiotic; Bacterial; Parasite
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/SQ109.html
Concentration
10mM
Purity
98.24
Solubility
DMSO : ≥ 25 mg/mL
Smiles
C/C(C)=C/CC/C(C)=C/CNCCNC1[C@H]2C[C@H]3C[C@@H]1C[C@H](C3)C2
Molecular Formula
C22H38N2
Molecular Weight
330.55
Precautions
H302
References & Citations
[1]Veiga-Santos P, et al. SQ109, a new drug lead for Chagas disease. Antimicrob Agents Chemother. 2015 Apr;59 (4) :1950-61.|[2]Jia L, et al. Pharmacodynamics and pharmacokinetics of SQ109, a new diamine-based antitubercular drug. Br J Pharmacol. 2005 Jan;144 (1) :80-7|[3]Jia L, et al. Interspecies pharmacokinetics and in vitro metabolism of SQ109. Br J Pharmacol. 2006 Mar;147 (5) :476-85.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2
Isoform
Trypanosoma

Chemical Information

Sq-109

SQ-109 is an orally active, small molecule antibiotic for treatment of pulmonary TB. Currently in Phase I clinical trials, SQ-109 could replace one or more drugs in the current first-line TB drug regimen, simplify therapy, and shorten the TB treatment regimen.

CAS Number502487-67-4
PubChem CID5274428
IUPAC NameN'-(2-adamantyl)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]ethane-1,2-diamine
Molecular FormulaC22H38N2
Molecular Weight330.5
XLogP5.1
Topological Polar Surface Area24.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Heavy Atom Count24
Formal Charge0
Complexity431
SMILES
CC(=CCC/C(=C/CNCCNC1C2CC3CC(C2)CC1C3)/C)C
InChI
InChI=1S/C22H38N2/c1-16(2)5-4-6-17(3)7-8-23-9-10-24-22-20-12-18-11-19(14-20)15-21(22)13-18/h5,7,18-24H,4,6,8-15H2,1-3H3/b17-7+
InChIKey
JFIBVDBTCDTBRH-REZTVBANSA-N
Chemical Structure
2D Structure
2D structure of Sq-109
CAS: 502487-67-4
CID: 5274428
Formula: C22H38N2
MW: 330.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.5
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass330.303499221
Monoisotopic Mass330.303499221
Topological Polar Surface Area24.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity431
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
A3834-50SQ109
A12485-500SQ109 500mg
A12485-100SQ109 100mg
A12485-50SQ109 50mg
A12485-10SQ109 10mg
A12485-5SQ109 5mg
A12485-25SQ109 25mg
A12485-1SQ109 1mg
A12485-10mM-DSQ109 10mM * 1mL in DMSO

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