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SQ109

CAT: 0607-A3834-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-A3834-10Size:10 mg
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Description
Antibiotic for treatment of pulmonary TB
CAS Number
502487-67-4
Product Name Alternative
N'-(2-adamantyl)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]ethane-1,2-diamine
Sequence
NSC 722041;SQ-109;SQ 109
Field of Research
Microbiology & Virology Antibiotic
Purity
0.9967
Solubility
Soluble in DMSO
Smiles
CC(=CCCC(=CCNCCNC1C2CC3CC(C2)CC1C3)C)C
Molecular Formula
C22H38N2
Molecular Weight
330.55
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

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
M26824-01SQ109
A12485-500SQ109 500mg
A12485-100SQ109 100mg
A12485-50SQ109 50mg
A12485-10SQ109 10mg
A12485-5SQ109 5mg
HY-14989R-01SQ109 (Standard)
A12485-25SQ109 25mg
A12485-1SQ109 1mg
A12485-10mM-DSQ109 10mM * 1mL in DMSO

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