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4-Diethylaminobenzaldehyde

CAT: 0013-GTR19177652-01Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19177652-01Size:1 ml x 10 mM (in DMSO)
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Description
4-Diethylaminobenzaldehyde is a potent and reversible inhibitor of aldehyde dehydrogenase 1 (ALDH1) with a Ki of 4 nM. It also exhibits anti-androgenic activity (IC50: 1.71 μM), making it a useful research tool for studying ALDH function and androgen signaling pathways in both cellular and biochemical assays.
CAS Number
120-21-8
Product Name Alternative
Competitive, 4 Diethylaminobenzaldehyde, 4Diethylaminobenzaldehyde, 4-Diethylaminobenzaldehyde, Aldehyde Dehydrogenase (ALDH), ALDH, ALDH1, anti-androgenic, glioblastoma, Inhibitor, inhibit, irreversible
Field of Research
Metabolism Research
Purity
99.60% (May vary between batches)
Solubility
DMSO:10 mg/mL (56.42 mM) ;10% DMSO+40% PEG300+5% Tween-80+45% Saline:1 mg/mL (5.64 mM)
Smiles
CCN (CC) C1=CC=C (C=O) C=C1
Molecular Formula
C11H15NO
Molecular Weight
177.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-(Diethylamino)benzaldehyde

4-(diethylamino)benzaldehyde is a member of the class of benzaldehydes carrying a diethylamino substituent at position 4. It has a role as an EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor. It is a member of benzaldehydes, an aromatic amine and a tertiary amino compound.

CAS Number120-21-8
PubChem CID67114
IUPAC Name4-(diethylamino)benzaldehyde
Molecular FormulaC11H15NO
Molecular Weight177.24
XLogP2.5
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity146
SMILES
CCN(CC)C1=CC=C(C=C1)C=O
InChI
InChI=1S/C11H15NO/c1-3-12(4-2)11-7-5-10(9-13)6-8-11/h5-9H,3-4H2,1-2H3
InChIKey
MNFZZNNFORDXSV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Diethylamino)benzaldehyde
CAS: 120-21-8
CID: 67114
Formula: C11H15NO
MW: 177.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight177.24
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass177.115364102
Monoisotopic Mass177.115364102
Topological Polar Surface Area20.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity146
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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