| Identification | Back Directory | [Name]
SQ 109 | [CAS]
502487-67-4 | [Synonyms]
SQ 109
NSC 722041
Cenobamate
SQ109 >=98% (HPLC)
SQ109 (NSC 722041)
SQ 109; SQ-109; NSC 722041
N'-(2-adamantyl)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]ethane-1,2-diamine
N-[(2E)-3,7-Dimethyl-2,6-octadienyl]-N'-tricyclo[3.3.1.1(3,7)]dec-2-yl-1,2-ethanediamine
N1-((1R,3S,5r,7r)-adamantan-2-yl)-N2-((E)-3,7-dimethylocta-2,6-dien-1-yl)ethane-1,2-diamine
1,2-Ethanediamine, N1-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-N2-tricyclo[3.3.1.13,7]dec-2-yl- | [Molecular Formula]
C22H38N2 | [MDL Number]
MFCD11046358 | [MOL File]
502487-67-4.mol | [Molecular Weight]
330.55 |
| Chemical Properties | Back Directory | [Boiling point ]
450.0±33.0 °C(Predicted) | [density ]
0.97±0.1 g/cm3(Predicted) | [storage temp. ]
2-8°C | [solubility ]
Acetone (Slightly), Chloroform (Slightly), Methanol (Slightly) | [form ]
oil | [pka]
9.80±0.20(Predicted) | [color ]
colorless to yellow | [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 | [SMILES]
C/C(CCC=C(C)C)=C\CNCCNC1[C@@H]2C[C@@H]3C[C@H]1C[C@H](C2)C3 |
| Hazard Information | Back Directory | [Uses]
SQ109 has been used:
- as an antitubercular?agent to study its interactions with mycobacterial membrane proteins large 3 (MmpL3) binding pocket
- as a positive control to determine the minimum inhibitory concentration (MIC) of ohmyungsamycins (OMS) A and B against Mycobacterium tuberculosis?(Mtb) using the resazurin microtiter assay (REMA) plate method
- as an inhibitor of MmpL3 to explore the utility of mycobacterial CRISPR interference for validating target gene essentiality and compound mode of action
| [General Description]
SQ109 is a 1,2-ethylenediamine, which is related to ethambutol. | [Biochem/physiol Actions]
SQ109 exhibits activity against Helicobacter pylori and the fungi Candida albicans. It might also possess anti-bacterial activity. | [in vivo]
Oral administration of SQ109 (0.1-25 mg/kg per day) to the mice for 28 days results in dose-dependent reductions of mycobacterial load in both spleen and lung comparable to that of EMB administered at 100 mg/kg per day, but is less potent than isoniazid (INH) at 25 mg/kg per day. Pharmacokinetic profiles of SQ109 in mice following a single administration showed its Cmax as 1038 (intravenous (i.v.)) and 135 ng/mL (p.o.), with an oral Tmax of 0.31 h. The elimination t1/2 of SQ109 is 3.5 (i.v.) and 5.2 h (p.o.). The oral bioavailability is 4%[2]. The terminal half-life (t1/2) of SQ109 in dogs (12-29 h, mean 29.3 h) is longer than in rats (7-8 h, mean 7.4 h), as reflected by the significantly larger volume of distribution of SQ109 in dogs. The oral bioavailability of SQ109 in rats and dogs is determined to be 12% and 5%, respectively[3]. | [target]
Mycobacterium | [IC 50]
Trypanosoma |
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| Company Name: |
ChemShuttle, Inc.
|
| Tel: |
0510-83588313-811 18800520310 |
| Website: |
www.jiehuapharma.com/ |
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