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3-Indoleacetic acid-d4

CAT: 0804-HY-18569S1Size: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-18569S1Size:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
3-Indoleacetic acid-d4 (Indole-3-acetic acid-d4; 3-IAA-d4) is the deuterium labeled 3-Indoleacetic acid. 3-Indoleacetic acid (Indole-3-acetic acid) is the most common natural plant growth hormone of the auxin class. It can be added to cell culture medium to induce plant cell elongation and division[2].
CAS Number
76937-77-4
Product Name Alternative
Indole-3-acetic acid-d4; 3-IAA-d4
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Endogenous Metabolite; Isotope-Labeled Compounds; Molecular Glues
Type
Isotope-Labeled Compounds
Related Pathways
Metabolic Enzyme/Protease; Others; PROTAC
Field of Research
Metabolic Disease
Purity
99.40
Solubility
10 mM in DMSO
Smiles
[2H]C1=C([2H])C([2H])=C([2H])C2=C1NC=C2CC(O)=O
Molecular Formula
C10H5D4NO2
Molecular Weight
179.21
Precautions
H302, H315, H319, H335
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Indoleacetic Acid-d4
CAS Number76937-77-4
PubChem CID24751554
IUPAC Name2-(4,5,6,7-tetradeuterio-1H-indol-3-yl)acetic acid
Molecular FormulaC10H9NO2
Molecular Weight179.21
XLogP1.4
Topological Polar Surface Area53.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity205
SMILES
[2H]C1=C(C(=C2C(=C1[2H])C(=CN2)CC(=O)O)[2H])[2H]
InChI
InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)/i1D,2D,3D,4D
InChIKey
SEOVTRFCIGRIMH-RHQRLBAQSA-N
Chemical Structure
2D Structure
2D structure of Indoleacetic Acid-d4
CAS: 76937-77-4
CID: 24751554
Formula: C10H9NO2
MW: 179.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.21
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass179.088435514
Monoisotopic Mass179.088435514
Topological Polar Surface Area53.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity205
Isotope Atom Count4
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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