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Chemical structure of ALDH3A1-IN-1

GC68635

ALDH3A1-IN-1

Also known as 4-(dipropylamino)-3-nitrobenzaldehyde

ALDH3A1-IN-1 (Compound 18) is an effective inhibitor of ALDH3A1 with an IC50 of 1·61 μM· As a monotherapy or in combination with docetaxel, ALDH3A1-IN-1 is more effective than DEAB on primary prostate tumor epithelial cells derived from patients

ChemicalCAS1039855-56-5MW250.29FormulaC13H18N2O3
CAS number
1039855-56-5
Molecular weight
250.29
Formula
C13H18N2O3
Solubility
DMSO ： 100 mg/mL (399·54 mM; ultrasonic and warming and heat to 60°C)
InChIKey
KXSYGLGCBFMYGY-UHFFFAOYSA-N
Catalogue number
GC68635
Brand
GLPBIO
Computed properties PubChem CID 28951450 · XLogP 3.2 · TPSA 66.1 Ų · H-bond donors 0
XLogP
3.2
TPSA
66.1 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
18

SMILES CCCN(CCC)C1=C(C=C(C=C1)C=O)[N+](=O)[O-]

Computed descriptors from PubChem (CID 28951450), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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