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TDO-IN-1

CAT: 1410-M35528-01Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M35528-01Size:1 Each
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Description
TDO-IN-1 is an orally active, potent, and selective inhibitor of tryptophan 2,3-dioxygenase (TDO), inhibiting indoleamine-2,3-dioxygenase, with antitumor activity that reverses local immune tolerance in tumor tissues.
CAS Number
2490672-92-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
350.3
Molecular Formula
C16H13F3N4O2
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Tdo-IN-1
CAS Number2490672-92-7
PubChem CID165412459
IUPAC NameN-[(4-methyl-2-nitrophenyl)methyl]-6-(trifluoromethyl)-1H-indazol-4-amine
Molecular FormulaC16H13F3N4O2
Molecular Weight350.29
XLogP4.1
Topological Polar Surface Area86.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity485
SMILES
CC1=CC(=C(C=C1)CNC2=CC(=CC3=C2C=NN3)C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C16H13F3N4O2/c1-9-2-3-10(15(4-9)23(24)25)7-20-13-5-11(16(17,18)19)6-14-12(13)8-21-22-14/h2-6,8,20H,7H2,1H3,(H,21,22)
InChIKey
FIFXIQQUXZVXNB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tdo-IN-1
CAS: 2490672-92-7
CID: 165412459
Formula: C16H13F3N4O2
MW: 350.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.29
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass350.09906016
Monoisotopic Mass350.09906016
Topological Polar Surface Area86.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity485
Isotope Atom Count0
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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Alternative Products

CatalogName
T61202-01TDO-IN-1
T61385-01IDO1/TDO-IN-1
T11623-01IDO/TDO-IN-1
YP-W39319-01Rat TDO (TDO) ELISA Kit
A18566-25IDO/TDO-IN-1 25mg
A18566-10IDO/TDO-IN-1 10mg
A18566-5IDO/TDO-IN-1 5mg
GTR19232596-01(R) -IDO/TDO-IN-1
A18566-50IDO/TDO-IN-1 50mg
A18566-100IDO/TDO-IN-1 100mg

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