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Details

Stereochemistry ACHIRAL
Molecular Formula C12H28N2
Molecular Weight 200.3641
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,12-DODECANEDIAMINE

SMILES

NCCCCCCCCCCCCN

InChI

InChIKey=QFTYSVGGYOXFRQ-UHFFFAOYSA-N
InChI=1S/C12H28N2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-14H2

HIDE SMILES / InChI

Molecular Formula C12H28N2
Molecular Weight 200.3641
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

1,12-Dodecanediamine (Dytek-12) is a 12 carbon aliphatic diamine. It is a highly versatile polymer monomer and chemical intermediate that is useful in the manufacture of a variety of products.

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
7.05 µM [IC50]

Conditions

ConditionModalityTargetsHighest PhaseProduct

PubMed

Sample Use Guides

In Vivo Use Guide
LD50 (mouse, i.p.) = 191mg/kg
Route of Administration: Intraperitoneal
In Vitro Use Guide
The cellular viability for a macrophage cell line J774 was determined by Mosmans´s MTT microcultured tetrazolium assay. We evaluated non-infected or infected macrophages with Mycobaterium bovis Bacillus Calmette-Guerin (BCG) in the presence and absence of test compounds (1,12-Dodecanediamine). The cells were plated in flat bottom 96 well plates (2.5 10^6 cells/well/100 mkL) cultured for 24 h in a controlled atmosphere (CO2 5% at 37 C), and non-adherent cells were washed by gentle flushing with RPMI 1640 supplemented with fetal bovine serum (10%) and gentamicin (25 lg/mL). Adherent cells were infected or not with BCG (2.5 10^6 UFC/well/100 mkL) cultured in the presence of medium alone, tween 20 (3%) (live and dead controls, respectively) or different concentrations of compounds (1.0, 10.0 and 100 mkg/mL) in a triplicate assay. After 48 h, stock MTT solution (5 mg/mL of saline; 20 mL/well) was added to the culture and 4 h later, the plate was centrifugate for 2 min at 2800 rpm, supernatant was discharged and Dimethyl sulfoxide (DMSO) (100 mkL/well) was added for formazan crystals solubilization and the absorbance was read at 540 nm in a plate reader.
Substance Class Chemical
Record UNII
J3LM80W9NT
Record Status Validated (UNII)
Record Version