MDL-72527

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H20N2.2ClH
Molecular Weight	265.222
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.Cl.C=C=CCNCCCCNCC=C=C

InChI

InChIKey=ITVRWVVFVHINOH-UHFFFAOYSA-N

InChI=1S/C12H20N2.2ClH/c1-3-5-9-13-11-7-8-12-14-10-6-4-2;;/h5-6,13-14H,1-2,7-12H2;2*1H

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

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

Primary Target	Pharmacology	Condition	Potency
Polyamine oxidase 2 Target ID: CHEMBL2105 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12458962	Inhibitor 8297		90.0 nM [Ki]

PubMed

Title	Date	PubMed
Cytotoxicity of the polyamine oxidase inactivator MDL 72527 to cancer cells: comparison with a saturated structural analogue.	2005 Dec	16273223
Inhibition of murine N1-acetylated polyamine oxidase by an acetylenic amine and the allenic amine, MDL 72527.	2005 Jan 14	15582603
Sensitization of human colon adenocarcinoma cells (LoVo) to reactive oxygen species by a lysosomotropic compound.	2006 Oct	16964390
Toxicity of enzymatic oxidation products of spermine to human melanoma cells (M14): sensitization by heat and MDL 72527.	2006 Oct	16962187

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:32:03 GMT 2023` Edited by `admin` on `Sat Dec 16 08:32:03 GMT 2023`
Record UNII	1YVR349GN4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MDL-72527

Common Name

English

MDL 72527

Common Name

English

1,4-BUTANEDIAMINE, N,N'-DI-2,3-BUTADIENYL-, DIHYDROCHLORIDE

Systematic Name

English

1,4-BUTANEDIAMINE, N1,N4-DI-2,3-BUTADIEN-1-YL-, HYDROCHLORIDE (1:2)

Systematic Name

English

Code System Code Type Description

FDA UNII

1YVR349GN4

Created by admin on Sat Dec 16 08:32:03 GMT 2023 , Edited by admin on Sat Dec 16 08:32:03 GMT 2023

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CAS

93565-01-6

Created by admin on Sat Dec 16 08:32:03 GMT 2023 , Edited by admin on Sat Dec 16 08:32:03 GMT 2023

PRIMARY

PUBCHEM

3035046

Created by admin on Sat Dec 16 08:32:03 GMT 2023 , Edited by admin on Sat Dec 16 08:32:03 GMT 2023

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