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Details

Stereochemistry ACHIRAL
Molecular Formula C12H20N2
Molecular Weight 192.3006
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of MDL-72527 FREE BASE

SMILES

C=C=CCNCCCCNCC=C=C

InChI

InChIKey=IKSQCMLJDHRWOA-UHFFFAOYSA-N
InChI=1S/C12H20N2/c1-3-5-9-13-11-7-8-12-14-10-6-4-2/h5-6,13-14H,1-2,7-12H2

HIDE SMILES / InChI

Molecular Formula C12H20N2
Molecular Weight 192.3006
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
90.0 nM [Ki]
PubMed

PubMed

TitleDatePubMed
Inhibition of pig liver and Zea mays L. polyamine oxidase: a comparative study.
2001
How important is the oxidative degradation of spermine?: minireview article.
2004 Jul
Cytotoxicity of the polyamine oxidase inactivator MDL 72527 to cancer cells: comparison with a saturated structural analogue.
2005 Dec
Toxicity of enzymatic oxidation products of spermine to human melanoma cells (M14): sensitization by heat and MDL 72527.
2006 Oct
Studies of the mechanism by which increased spermidine/spermine N1-acetyltransferase activity increases susceptibility to skin carcinogenesis.
2007 Nov
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:45:54 GMT 2023
Edited
by admin
on Fri Dec 15 17:45:54 GMT 2023
Record UNII
G28L05X0YB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MDL-72527 FREE BASE
Common Name English
1,4-BUTANEDIAMINE, N1,N4-DI-2,3-BUTADIEN-1-YL-
Systematic Name English
1,4-BUTANEDIAMINE, N,N'-DI-2,3-BUTADIENYL-
Systematic Name English
N1,N4-BIS(2,3-BUTADIENYL)-1,4-BUTANEDIAMINE
Systematic Name English
Code System Code Type Description
PUBCHEM
4026
Created by admin on Fri Dec 15 17:45:54 GMT 2023 , Edited by admin on Fri Dec 15 17:45:54 GMT 2023
PRIMARY
EPA CompTox
DTXSID901259716
Created by admin on Fri Dec 15 17:45:54 GMT 2023 , Edited by admin on Fri Dec 15 17:45:54 GMT 2023
PRIMARY
FDA UNII
G28L05X0YB
Created by admin on Fri Dec 15 17:45:54 GMT 2023 , Edited by admin on Fri Dec 15 17:45:54 GMT 2023
PRIMARY
DRUG BANK
DB04188
Created by admin on Fri Dec 15 17:45:54 GMT 2023 , Edited by admin on Fri Dec 15 17:45:54 GMT 2023
PRIMARY
CAS
99207-33-7
Created by admin on Fri Dec 15 17:45:54 GMT 2023 , Edited by admin on Fri Dec 15 17:45:54 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY