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Trans-3-Indoleacrylic acid

CAT: 0013-GTR19168979-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19168979-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Trans-3-Indoleacrylic acid is an endogenous metabolite that functions as a ferroptosis inhibitor, notably blocking cell death induced by RSL3. It serves as a valuable research tool for investigating ferroptosis mechanisms and related therapeutic strategies in colorectal cancer models, both in vitro and in vivo.
CAS Number
29953-71-7
Product Name Alternative
Endogenous Metabolite, EndogenousMetabolite, ferroptosis, Inhibitor, inhibit, trans3Indoleacrylic acid, trans-3-Indoleacrylic acid, trans-IAA, trans 3 Indoleacrylic acid
Field of Research
Cell Biology, Metabolism Research
Purity
97.25% (May vary between batches)
Solubility
DMSO:245 mg/mL (1308.83 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (10.68 mM)
Smiles
OC (=O) \C=C\C1=CNC2=CC=CC=C12
Molecular Formula
C11H9NO2
Molecular Weight
187.19
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Indoleacrylic acid

(E)-3-(indol-3-yl)acrylic acid is an alpha,beta-unsaturated monocarboxylic acid that is acrylic acid in which one of the hydrogens at position 3 is replaced by an indol-3-yl group. It is a member of indoles and an alpha,beta-unsaturated monocarboxylic acid. It is functionally related to an acrylic acid. It is a conjugate acid of an (E)-3-(indol-3-yl)acrylate(1-).

CAS Number29953-71-7
PubChem CID5375048
IUPAC Name(E)-3-(1H-indol-3-yl)prop-2-enoic acid
Molecular FormulaC11H9NO2
Molecular Weight187.19
XLogP2.2
Topological Polar Surface Area53.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity250
SMILES
C1=CC=C2C(=C1)C(=CN2)/C=C/C(=O)O
InChI
InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5+
InChIKey
PLVPPLCLBIEYEA-AATRIKPKSA-N
Chemical Structure
2D Structure
2D structure of 3-Indoleacrylic acid
CAS: 29953-71-7
CID: 5375048
Formula: C11H9NO2
MW: 187.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight187.19
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass187.063328530
Monoisotopic Mass187.063328530
Topological Polar Surface Area53.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity250
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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