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Chemical structure of TDO-IN-1

GC73344

TDO-IN-1

Also known as N-[(4-methyl-2-nitrophenyl)methyl]-6-(trifluoromethyl)-1H-indazol-4-amine

TDO-IN-1 is an orally active and selective inhibitor of tryptophan 2,3-dioxygenase (TDO), shows excellent selectivity over indoleamine-2,3-dioxygenase (IDO), with an IC50 value of 0·62 μM (IDO)

ChemicalCAS2490672-92-7MW350.3FormulaC16H13F3N4O2
CAS number
2490672-92-7
Molecular weight
350.3
Formula
C16H13F3N4O2
Solubility
DMSO ： 100 mg/mL (285·47 mM; Need ultrasonic)
InChIKey
FIFXIQQUXZVXNB-UHFFFAOYSA-N
Catalogue number
GC73344
Brand
GLPBIO
Computed properties PubChem CID 165412459 · XLogP 4.1 · TPSA 86.5 Ų · H-bond donors 2
XLogP
4.1
TPSA
86.5 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
25

SMILES CC1=CC(=C(C=C1)CNC2=CC(=CC3=C2C=NN3)C(F)(F)F)[N+](=O)[O-]

Computed descriptors from PubChem (CID 165412459), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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