N-Geranyl-N'-(2-adamantyl)ethane-1,2-diamine

Base Information

Chemical Name:N-Geranyl-N'-(2-adamantyl)ethane-1,2-diamine
CAS No.:502487-67-4
Molecular Formula:C22H38N2
Molecular Weight:330.55
Hs Code.:
UNII:9AU7XUV31A
ChEMBL ID:CHEMBL561057
DSSTox Substance ID:DTXSID30964540
Metabolomics Workbench ID:149412
NCI Thesaurus Code:C95706
Nikkaji Number:J2.462.544C
Pharos Ligand ID:291WPXQA7XWA
Wikidata:Q7392720,Q27454083
Wikipedia:SQ109
Mol file:502487-67-4.mol

Synonyms:N-geranyl-N'-(2-adamantyl)ethane-1,2-diamine;SQ 109;SQ-109;SQ109 compound

Suppliers and Price of N-Geranyl-N'-(2-adamantyl)ethane-1,2-diamine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Crysdot
SQ109 98+%
100mg
$ 781.00

Crysdot
SQ109 98+%
50mg
$ 648.00

Crysdot
SQ109 98+%
10mg
$ 240.00

Crysdot
SQ109 98+%
5mg
$ 186.00

ChemScene
SQ109 98.01%
10mg
$ 443.00

ChemScene
SQ109 98.01%
5mg
$ 343.00

ChemScene
SQ109 98.01%
100mg
$ 1440.00

ChemScene
SQ109 98.01%
50mg
$ 1195.00

ApexBio Technology
SQ109
100mg
$ 1758.00

ApexBio Technology
SQ109
50mg
$ 1460.00

Total 25 raw suppliers

Chemical Property of N-Geranyl-N'-(2-adamantyl)ethane-1,2-diamine

Chemical Property:

Boiling Point:450.0±33.0 °C(Predicted)
PKA:9.80±0.20(Predicted)
PSA：24.06000
Density:0.97±0.1 g/cm3(Predicted)
LogP:5.46480
Storage Temp.:2-8°C
Solubility.:Acetone (Slightly), Chloroform (Slightly), Methanol (Slightly)
XLogP3:5.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:330.303499221
Heavy Atom Count:24
Complexity:431

Purity/Quality:

97% ^*data from raw suppliers

SQ109 98+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=CCCC(=CCNCCNC1C2CC3CC(C2)CC1C3)C)C
Isomeric SMILES:CC(=CCC/C(=C/CNCCNC1C2CC3CC(C2)CC1C3)/C)C
Recent ClinicalTrials:Evaluation of SQ109, High-dose Rifampicin, and Moxifloxacin in Adults With Smear-positive Pulmonary TB in a MAMS Design
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

Technology Process of N-Geranyl-N'-(2-adamantyl)ethane-1,2-diamine

There total 7 articles about N-Geranyl-N'-(2-adamantyl)ethane-1,2-diamine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 24.0%

: 502487-67-4
sequella

Guidance literature:

Reference yield:

: C₂₂H₃₆N₂

: 502487-67-4
SQ-109

Guidance literature:: With sodium tetrahydroborate; In methanol;
DOI:10.1016/j.ejmech.2012.03.041

Reference yield:

: 700-58-3
2-Adamantanone

: 1227090-46-1
(E)-N'-(3,7-dimethylocta-2,6-dienyl)ethane-1,2-diamine

: 502487-67-4
sequella

Guidance literature:: 2-Adamantanone; (E)-N'-(3,7-dimethylocta-2,6-dienyl)ethane-1,2-diamine; In methanol; at 20 ℃; for 2h; Inert atmosphere;

With sodium tetrahydroborate; In methanol; Inert atmosphere;
DOI:10.1016/j.ejmech.2010.01.046