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TTT-28

CAT: 0013-GTR19204577-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204577-03Size:100 mg
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Description
TTT-28 is a selective, low-toxicity ABCB1 (P-gp) inhibitor that overcomes multidrug resistance by blocking drug efflux. Its efficacy in reversing chemoresistance has been demonstrated in both cellular assays and in vivo xenograft models, supporting its use as a research tool in oncology and pharmacology.
CAS Number
1609138-51-3
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
COc1cc (cc (OC) c1OC) C (=O) N[C@@H] (C (C) C) c1nc (cs1) C (=O) Nc1ccccc1C (=O) c1ccccc1
Molecular Formula
C31H31N3O6S
Molecular Weight
573.66
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 86765226
CAS Number1609138-51-3
PubChem CID86765226
IUPAC NameN-(2-benzoylphenyl)-2-[(1S)-2-methyl-1-[(3,4,5-trimethoxybenzoyl)amino]propyl]-1,3-thiazole-4-carboxamide
Molecular FormulaC31H31N3O6S
Molecular Weight573.7
XLogP6.1
Topological Polar Surface Area144
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count41
Formal Charge0
Complexity870
SMILES
CC(C)[C@@H](C1=NC(=CS1)C(=O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC
InChI
InChI=1S/C31H31N3O6S/c1-18(2)26(34-29(36)20-15-24(38-3)28(40-5)25(16-20)39-4)31-33-23(17-41-31)30(37)32-22-14-10-9-13-21(22)27(35)19-11-7-6-8-12-19/h6-18,26H,1-5H3,(H,32,37)(H,34,36)/t26-/m0/s1
InChIKey
VUSXKXGCZNKQFS-SANMLTNESA-N
Chemical Structure
2D Structure
2D structure of CID 86765226
CAS: 1609138-51-3
CID: 86765226
Formula: C31H31N3O6S
MW: 573.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight573.7
XLogP36.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass573.19335689
Monoisotopic Mass573.19335689
Topological Polar Surface Area144 Ų
Heavy Atom Count41
Formal Charge0
Complexity870
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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BA6838-5TTT-28
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HY-101511RTTT-28 (Standard)
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A13033-5TTT-28 5mg
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