Products for Research Use Only

NLG802

CAT: 0013-GTR19189445-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189445-01Size:2 mg
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Description
NLG802 is an orally administered prodrug that is metabolized to the active IDO pathway inhibitor indoximod. This small molecule is used in research to investigate immunomodulation and antitumor responses in both in vitro and in vivo experimental models.
CAS Number
2071683-99-1
Product Name Alternative
IDO, Indoleamine 2,3Dioxygenase (IDO), Indoleamine 2,3-Dioxygenase, Indoleamine2,3Dioxygenase, Indoleamine2,3Dioxygenase (IDO), NLG 802, NLG802, NLG-802
Field of Research
Metabolism Research
Purity
99.08% (May vary between batches)
Solubility
DMSO:225 mg/mL (568.3 mM)
Smiles
Cl.CCOC (=O) [C@@H] (Cc1cn (C) c2ccccc12) NC (=O) [C@@H] (N) CC (C) C
Molecular Formula
C20H30ClN3O3
Molecular Weight
395.92
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ethyl leucyl-1-methyl-D-tryptophanate hydrochloride
CAS Number2071683-99-1
PubChem CID162623745
IUPAC Nameethyl (2R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-(1-methylindol-3-yl)propanoate;hydrochloride
Molecular FormulaC20H30ClN3O3
Molecular Weight395.9
Topological Polar Surface Area86.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count27
Formal Charge0
Complexity483
SMILES
CCOC(=O)[C@@H](CC1=CN(C2=CC=CC=C21)C)NC(=O)[C@H](CC(C)C)N.Cl
InChI
InChI=1S/C20H29N3O3.ClH/c1-5-26-20(25)17(22-19(24)16(21)10-13(2)3)11-14-12-23(4)18-9-7-6-8-15(14)18;/h6-9,12-13,16-17H,5,10-11,21H2,1-4H3,(H,22,24);1H/t16-,17+;/m0./s1
InChIKey
PXFDVONNVFXYEP-MCJVGQIASA-N
Chemical Structure
2D Structure
2D structure of Ethyl leucyl-1-methyl-D-tryptophanate hydrochloride
CAS: 2071683-99-1
CID: 162623745
Formula: C20H30ClN3O3
MW: 395.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight395.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass395.1975695
Monoisotopic Mass395.1975695
Topological Polar Surface Area86.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity483
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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