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Chemical structure of IDO2-IN-1

GC69257

IDO2-IN-1

Also known as N-[[1-[2-[[4-[N'-[(3-bromophenyl)methyl]-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]ethyl]triazol-4-yl]methyl]pyridine-2-carboxamide

IDO2-IN-1 is a potent orally active inhibitor of indoleamine 2,3-dioxygenase 2 (IDO2) with an IC50 of 112 nM· It can be used for research on inflammatory autoimmune diseases

ChemicalCAS2803768-09-2MW541.36FormulaC21H21BrN10O3
CAS number
2803768-09-2
Molecular weight
541.36
Formula
C21H21BrN10O3
Solubility
DMSO ： 140 mg/mL (258·61 mM; Need ultrasonic)
InChIKey
KIIAYIPXLMATRX-UHFFFAOYSA-N
Catalogue number
GC69257
Brand
GLPBIO
Computed properties PubChem CID 164946715 · XLogP 1.7 · TPSA 168 Ų · H-bond donors 4
XLogP
1.7
TPSA
168 Ų
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
11
Heavy atoms
35

SMILES C1=CC=NC(=C1)C(=O)NCC2=CN(N=N2)CCNC3=NON=C3C(=NCC4=CC(=CC=C4)Br)NO

Computed descriptors from PubChem (CID 164946715), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
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