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1-Isopropyltryptophan

CAT: 0013-GTR19230647-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19230647-02Size:50 mg
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Description
1-Isopropyltryptophan (1-IsoPT) is a small molecule inhibitor of indoleamine 2,3-dioxygenase 1 (IDO1) . It effectively suppresses the upregulation of both IDO1 and IDO2 mRNA expression triggered by interferon-gamma (IFN-γ) stimulation. This compound is a valuable research tool for investigating the kynurenine pathway in immunology and oncology, applicable in both in vitro and in vivo studies.
CAS Number
1219485-46-7
Field of Research
Metabolism Research
Smiles
C (C) (C) N1C=2C (C (C[C@@H] (C (O) =O) N) =C1) =CC=CC2
Molecular Formula
C14H18N2O2
Molecular Weight
246.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-Isopropyltryptophan
CAS Number1219485-46-7
PubChem CID91573446
IUPAC Name(2S)-2-amino-3-(1-propan-2-ylindol-3-yl)propanoic acid
Molecular FormulaC14H18N2O2
Molecular Weight246.30
XLogP-0.6
Topological Polar Surface Area68.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity306
SMILES
CC(C)N1C=C(C2=CC=CC=C21)C[C@@H](C(=O)O)N
InChI
InChI=1S/C14H18N2O2/c1-9(2)16-8-10(7-12(15)14(17)18)11-5-3-4-6-13(11)16/h3-6,8-9,12H,7,15H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKey
YAQRKENUISHWOB-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of 1-Isopropyltryptophan
CAS: 1219485-46-7
CID: 91573446
Formula: C14H18N2O2
MW: 246.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight246.30
XLogP3-0.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass246.136827821
Monoisotopic Mass246.136827821
Topological Polar Surface Area68.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity306
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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