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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H30F2N6O8S
Molecular Weight 648.635
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OLITIGALTIN

SMILES

[H][C@]1(O[C@H](CO)[C@H](O)[C@@H]([C@H]1O)N2C=C(N=N2)C3=CC=CC(F)=C3)S[C@]4([H])O[C@H](CO)[C@H](O)[C@@H]([C@H]4O)N5C=C(N=N5)C6=CC=CC(F)=C6

InChI

InChIKey=YGIDGBAHDZEYMT-MQFIMZJJSA-N
InChI=1S/C28H30F2N6O8S/c29-15-5-1-3-13(7-15)17-9-35(33-31-17)21-23(39)19(11-37)43-27(25(21)41)45-28-26(42)22(24(40)20(12-38)44-28)36-10-18(32-34-36)14-4-2-6-16(30)8-14/h1-10,19-28,37-42H,11-12H2/t19-,20-,21+,22+,23+,24+,25-,26-,27+,28+/m1/s1

HIDE SMILES / InChI

Description

TD139 is a highly potent, specific inhibitor of the galactoside binding pocket of galectin-3. TD139 is formulated for inhalation, which enables direct targeting the fibrotic tissue in the lungs, while minimizing systemic exposure. TD139 was initially developed by a team of scientists from Lund University, Sweden, and Edinburgh University, the UK. TD-139 is in phase I/II clinical trials for the treatment of idiopathic pulmonary fibrosis.

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
14.0 nM [Kd]
0.22 µM [Kd]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

T1/2

ValueDoseCo-administeredAnalytePopulation
7 h
10 mg 1 times / day multiple, respiratory
TD-139 blood
Homo sapiens

PubMed

Patents

Sample Use Guides

In Vivo Use Guide
TD139 is delivered to the lungs of IPF patients using the Plastiape inhaler device at the following 3 doses: 0.3mg, 3mg, and 10mg.
Route of Administration: Respiratory
In Vitro Use Guide
Primary alveolar epithelial cells from wild-type (WT) mice were plated and treated with transforming growth factor (TGF)-b1 in the presence or absence of 10 uM TD-139. TD-139 (10 uM) blocked TGF-b1–induced b-catenin phosphorylation as judged by Western blot analysis.