Benzenedimethanamine-diethylamine
Product Information
Molecular Formula
C₁₆H₃₂N₆
Molecular Weight
308.47
Description
Benzenedimethanamine-diethylamine is a PROTAC linker, which is composed of alkyl chains. Benzenedimethanamine-diethylamine can be used to synthesize a range of PROTACs.
Synonyms
Benzenedimethanamine-diethylamine; N1,N1'-(1,4-phenylenebis(methylene))bis(N1-(2-aminoethyl)ethane-1,2-diamine); bis(2-aminoethyl)[(4-{[bis(2-aminoethyl)amino]methyl}phenyl)methyl]amine
IUPAC Name
N'-(2-aminoethyl)-N'-[[4-[[bis(2-aminoethyl)amino]methyl]phenyl]methyl]ethane-1,2-diamine;hydrochloride
SMILES
C1=CC(=CC=C1CN(CCN)CCN)CN(CCN)CCN.Cl
InChI
InChI=1S/C16H32N6.ClH/c17-5-9-21(10-6-18)13-15-1-2-16(4-3-15)14-22(11-7-19)12-8-20;/h1-4H,5-14,17-20H2;1H
InChI Key
GHICFGSOOAIDJO-UHFFFAOYSA-N
Purity
97%
Storage
Please store the product under the recommended conditions in the Certificate of Analysis.
Computed Properties
XLogP3
-2.2
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
12
Exact Mass
308.26884505
Monoisotopic Mass
308.26884505
Topological Polar Surface Area
111
Heavy Atom Count
22
Formal Charge
0
Complexity
217
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| EP-2139461-A2 | Amino derivatives to prevent nephrotoxicity and cancer | 2007-03-20 |
| WO-2008113364-A2 | Amino derivatives to prevent nephrotoxicity and cancer | 2007-03-20 |
| WO-2008021788-A2 | Polyamine compounds | 2006-08-08 |
| AU-2004227983-A1 | Polyamine compounds for treating chemokine receptor mediated diseases | 2003-04-02 |
| CA-2521416-A1 | Polyamine compounds for treating chemokine receptor mediated diseases | 2003-04-02 |
| EP-1608352-A1 | Polyamine compounds for treating chemokine receptor mediated diseases | 2003-04-02 |
| EP-1608352-A4 | POLYAMINE COMPOUNDS FOR THE TREATMENT OF CHEMOKINE-RECEPTOR INDUCED DISEASES | 2003-04-02 |
| EP-1608352-B1 | Polyamine compounds for treating chemokine receptor mediated diseases | 2003-04-02 |
| JP-2006522145-A | Polyamine compounds for treating chemokine receptor mediated diseases | 2003-04-02 |
| JP-3949708-B2 | Polyamine compounds for treating chemokine receptor mediated diseases | 2003-04-02 |
