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3054913-44-6-PITB PITB

PITB

For research use only. Not for therapeutic Use.

  • CAT Number: I047724
  • CAS Number: 3054913-44-6
  • Molecular Formula: C14H10FNO6
  • Molecular Weight: 307.23
  • Purity: ≥95%
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Related Small Molecules: Tetrabutylammonium perrhenate     3,3-Dihydroxybenzidine     Thermolysin, Bacillus thermoproteolyticus rokko    

PITB is a high affinity, orally bioavailable transthyretin (TTR) aggregation inhibitor with optimal pharmacokinetic properties. PITB binds with high affinity to TTR, effectively inhibiting tetramer dissociation and aggregation of both the wild-type protein and the two most prevalent disease-associated TTR variants. KEYWORDS: PITB | Supplier | TTR aggregation inhibitor | CAS [3054913-44-6] | Transthyretin | Inhibitor | Proteins | Amyloid disease | Transthyretin amyloidosis | ATTR | Pharmacokinetically Improved TTR Binder


Catalog Number I047724
CAS Number 3054913-44-6
Molecular Formula C14H10FNO6
Purity ≥95%
IUPAC Name 4-[(E)-1-(2-aminoethylsulfanyl)-3-phenylprop-2-enyl]-5-methoxybenzene-1,2-diol;4-[(E)-3-(2-aminoethylsulfanyl)-3-phenylprop-1-enyl]-5-methoxybenzene-1,2-diol;4-[(E)-1-[2-(dimethylamino)ethylsulfanyl]-3-phenylprop-2-enyl]-5-methoxybenzene-1,2-diol;4-[(E)-3-[2-(dimethylamino)ethylsulfanyl]-3-phenylprop-1-enyl]-5-methoxybenzene-1,2-diol;4-[(E)-1-(2-hydroxyethylsulfanyl)-3-phenylprop-2-enyl]-5-methoxybenzene-1,2-diol;4-[(E)-3-(2-hydroxyethylsulfanyl)-3-phenylprop-1-enyl]-5-methoxybenzene-1,2-diol
InChI InChI=1S/2C20H25NO3S.2C18H21NO3S.2C18H20O4S/c1-21(2)11-12-25-20(15-7-5-4-6-8-15)10-9-16-13-17(22)18(23)14-19(16)24-3;1-21(2)11-12-25-20(10-9-15-7-5-4-6-8-15)16-13-17(22)18(23)14-19(16)24-3;1-22-17-12-16(21)15(20)11-14(17)7-8-18(23-10-9-19)13-5-3-2-4-6-13;1-22-17-12-16(21)15(20)11-14(17)18(23-10-9-19)8-7-13-5-3-2-4-6-13;1-22-17-12-16(21)15(20)11-14(17)7-8-18(23-10-9-19)13-5-3-2-4-6-13;1-22-17-12-16(21)15(20)11-14(17)18(23-10-9-19)8-7-13-5-3-2-4-6-13/h2*4-10,13-14,20,22-23H,11-12H2,1-3H3;2*2-8,11-12,18,20-21H,9-10,19H2,1H3;2*2-8,11-12,18-21H,9-10H2,1H3/b2*10-9+;4*8-7+
SMILES CN(C)CCSC(/C=C/C1=CC(=C(C=C1OC)O)O)C2=CC=CC=C2.CN(C)CCSC(/C=C/C1=CC=CC=C1)C2=CC(=C(C=C2OC)O)O.COC1=CC(=C(C=C1/C=C/C(C2=CC=CC=C2)SCCN)O)O.COC1=CC(=C(C=C1/C=C/C(C2=CC=CC=C2)SCCO)O)O.COC1=CC(=C(C=C1C(/C=C/C2=CC=CC=C2)SCCN)O)O.COC1=CC(=C(C=C1C(/C=C/C2=CC=CC=C2)SCCO)O)O
Reference

F Pinheiro et al. PITB: A high affinity transthyretin aggregation inhibitor with optimal pharmacokinetic properties. Eur J Med Chem. 2023 Dec 5;0(0):115837.

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