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147510-59-6

147510-59-6 | 1,4-Butanediamine, N1-[4-(ethylamino)butyl]-N4-[4-[[4-(ethylamino)butyl]amino]butyl]-

CAS No: 147510-59-6 Catalog No: AG001EXL MDL No:

Product Description

Catalog Number:
AG001EXL
Chemical Name:
1,4-Butanediamine, N1-[4-(ethylamino)butyl]-N4-[4-[[4-(ethylamino)butyl]amino]butyl]-
CAS Number:
147510-59-6
Molecular Formula:
C20H47N5
Molecular Weight:
357.6207
IUPAC Name:
N-ethyl-N'-[4-[4-[4-(ethylamino)butylamino]butylamino]butyl]butane-1,4-diamine
InChI:
InChI=1S/C20H47N5/c1-3-21-13-5-7-15-23-17-9-11-19-25-20-12-10-18-24-16-8-6-14-22-4-2/h21-25H,3-20H2,1-2H3
InChI Key:
NPPQUDMGFNXAFH-UHFFFAOYSA-N
SMILES:
CCNCCCCNCCCCNCCCCNCCCCNCC

Properties

Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.383g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
357.631g/mol
Monoisotopic Mass:
357.383g/mol
Rotatable Bond Count:
22  
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Literature

Title Journal
Recent advances in the development of polyamine analogues as antitumor agents. Journal of medicinal chemistry 20090813
In vitro and in vivo inhibition of plant polyamine oxidase activity by polyamine analogues. Phytochemistry 20081001
Antizyme induction by polyamine analogues as a factor of cell growth inhibition. The Biochemical journal 20020901
Novel synthetic polyamines are effective in the treatment of experimental microsporidiosis, an opportunistic AIDS-associated infection. Antimicrobial agents and chemotherapy 20020101
cis-Unsaturated analogues of 3,8,13,18,23-pentaazapentacosane (BE-4-4-4-4): synthesis and growth inhibitory effects on human prostate cancer cell lines. Journal of medicinal chemistry 20010201

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