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JTT-551

CAT: 1410-M15931-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M15931-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
JTT-551 (JTT551, JTT 551) is a novel potent, selective inhibitor of protein tyrosine phosphatase 1B (PTP1B) with Ki of 0.22 uM.
CAS Number
776309-04-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
605.86
Molecular Formula
C34H43N3O3S2
Notes
Research use only, not for human use.
Receptor
Protein Phosphatase/PTP

Chemical Information

Jtt-551
CAS Number776309-04-7
PubChem CID23080446
IUPAC Name2-[(5-tert-butyl-1,3-thiazol-2-yl)methyl-[[4-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]-1,3-thiazol-2-yl]methyl]amino]acetic acid
Molecular FormulaC34H43N3O3S2
Molecular Weight605.9
XLogP6.8
Topological Polar Surface Area132
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count16
Heavy Atom Count42
Formal Charge0
Complexity789
SMILES
CCCC(CCC)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C3=CSC(=N3)CN(CC4=NC=C(S4)C(C)(C)C)CC(=O)O
InChI
InChI=1S/C34H43N3O3S2/c1-6-8-25(9-7-2)26-14-16-28(17-15-26)40-22-24-10-12-27(13-11-24)29-23-41-32(36-29)20-37(21-33(38)39)19-31-35-18-30(42-31)34(3,4)5/h10-18,23,25H,6-9,19-22H2,1-5H3,(H,38,39)
InChIKey
FKGBFRNVTCFMGU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Jtt-551
CAS: 776309-04-7
CID: 23080446
Formula: C34H43N3O3S2
MW: 605.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight605.9
XLogP36.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count16
Exact Mass605.27458459
Monoisotopic Mass605.27458459
Topological Polar Surface Area132 Ų
Heavy Atom Count42
Formal Charge0
Complexity789
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

Related Products

CatalogName
M15691JTT-553
M16960JTT-553 benzosulfonate
M34443-01TDRL-551
M34368-01OT-551 HCl
M24738-01ICI 118,551 hydrochloride

Alternative Products

CatalogName
T11730-01JTT 551
MBS3605929-01JTT-551
A20776-100JTT 551 100mg
MBS3606958JTT-551 sodium
A20776-10JTT 551 10mg
A20776-25JTT 551 25mg
A20776-50JTT 551 50mg
A20776-5JTT 551 5mg
A20776-1JTT 551 1mg
T86776-01JTT-654

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