Products for Research Use Only

ALDH1A3-IN-1

CAT: 0013-GTR19187922-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19187922-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
ALDH1A3-IN-1 (Compound 14) is a potent and selective ALDH1A3 inhibitor with an IC50 of 0.63 μM and a Ki of 0.46 μM. This small molecule is a valuable research tool for investigating ALDH1A3's role in prostate cancer biology, including studies on cancer stem cells in both in vitro and in vivo models.
CAS Number
1695970-90-1
Field of Research
Metabolism Research
Smiles
N (CCC) (CCC) C1=C (Br) C=C (C=O) C=C1
Molecular Formula
C13H18BrNO
Molecular Weight
284.19
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Aldh1A3-IN-1
CAS Number1695970-90-1
PubChem CID108276331
IUPAC Name3-bromo-4-(dipropylamino)benzaldehyde
Molecular FormulaC13H18BrNO
Molecular Weight284.19
XLogP4
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count16
Formal Charge0
Complexity204
SMILES
CCCN(CCC)C1=C(C=C(C=C1)C=O)Br
InChI
InChI=1S/C13H18BrNO/c1-3-7-15(8-4-2)13-6-5-11(10-16)9-12(13)14/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKey
WIBRZAPMVFXQDF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aldh1A3-IN-1
CAS: 1695970-90-1
CID: 108276331
Formula: C13H18BrNO
MW: 284.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight284.19
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass283.05718
Monoisotopic Mass283.05718
Topological Polar Surface Area20.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity204
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