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SQ109

CAS No.:
502487-67-4
Catalog Number:
AG00DB7K
Molecular Formula:
C22H38N2
Molecular Weight:
330.5505
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$533
- +
10mg
98%
1 week
United States
$672
- +
50mg
98%
1 week
United States
$1716
- +
100mg
98%
1 week
United States
$2057
- +
Product Description
Catalog Number:
AG00DB7K
Chemical Name:
SQ109
CAS Number:
502487-67-4
Molecular Formula:
C22H38N2
Molecular Weight:
330.5505
MDL Number:
MFCD11046358
IUPAC Name:
N'-(2-adamantyl)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]ethane-1,2-diamine
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+
InChI Key:
JFIBVDBTCDTBRH-REZTVBANSA-N
SMILES:
CC(=CCNCCNC1C2CC3CC1CC(C2)C3)CCC=C(C)C
UNII:
9AU7XUV31A
Properties
Complexity:
431  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
330.303g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
330.56g/mol
Monoisotopic Mass:
330.303g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  
Literature
Title Journal
Head-to-head prenyl tranferases: anti-infective drug targets. Journal of medicinal chemistry 20120510
SQ109 and PNU-100480 interact to kill Mycobacterium tuberculosis in vitro. The Journal of antimicrobial chemotherapy 20120501
Tuberculosis: the drug development pipeline at a glance. European journal of medicinal chemistry 20120501
Synthesis and in vitro antimycobacterial activity of compounds derived from (R)- and (S)-2-amino-1-butanol - The crucial role of the configuration. European journal of medicinal chemistry 20120201
Rapid evaluation in whole blood culture of regimens for XDR-TB containing PNU-100480 (sutezolid), TMC207, PA-824, SQ109, and pyrazinamide. PloS one 20120101
Design, synthesis, and biological evaluation of novel fluorinated ethanolamines. Chemistry (Weinheim an der Bergstrasse, Germany) 20111223
Novel linear diamine disubstituted polycyclic 'cage' derivatives as potential antimycobacterial candidates. Chemical biology & drug design 20111201
The many faces of the adamantyl group in drug design. European journal of medicinal chemistry 20110601
[Present and future in the use of anti-tubercular drugs]. Pneumologia (Bucharest, Romania) 20110101
Drugs in development for tuberculosis. Drugs 20101203
In vitro interactions between new antitubercular drug candidates SQ109 and TMC207. Antimicrobial agents and chemotherapy 20100701
Current development and future prospects in chemotherapy of tuberculosis. Respirology (Carlton, Vic.) 20100701
Synthesis and evaluation of SQ109 analogues as potential anti-tuberculosis candidates. European journal of medicinal chemistry 20100501
Pentacyclo-undecane derived cyclic tetra-amines: synthesis and evaluation as potent anti-tuberculosis agents. European journal of medicinal chemistry 20091101
Synthesis and evaluation of carbamate prodrugs of SQ109 as antituberculosis agents. Bioorganic & medicinal chemistry letters 20090515
SQ109. Tuberculosis (Edinburgh, Scotland) 20080301
New anti-tuberculosis drugs with novel mechanisms of action. Current medicinal chemistry 20080101
Advances in the treatment of tuberculosis. Clinical pharmacology and therapeutics 20071101
New tuberculosis therapeutics: a growing pipeline. The Journal of infectious diseases 20070815
Drug therapy of experimental tuberculosis (TB): improved outcome by combining SQ109, a new diamine antibiotic, with existing TB drugs. Antimicrobial agents and chemotherapy 20070401
Novel agents in the management of Mycobacterium tuberculosis disease. Current medicinal chemistry 20070101
Synergistic interactions of SQ109, a new ethylene diamine, with front-line antitubercular drugs in vitro. The Journal of antimicrobial chemotherapy 20060801
Interspecies pharmacokinetics and in vitro metabolism of SQ109. British journal of pharmacology 20060301
Pharmacoproteomic effects of isoniazid, ethambutol, and N-geranyl-N'-(2-adamantyl)ethane-1,2-diamine (SQ109) on Mycobacterium tuberculosis H37Rv. The Journal of pharmacology and experimental therapeutics 20051101
Properties