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Pin1 modulator 1

CAT: 0013-GTR19233068-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19233068-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Pin1 modulator 1 (IIb-219) is a specific β-Catenin inhibitor that suppresses Wnt signaling. This small molecule is a valuable research tool for studying Wnt-mediated pathologies, including cancer, in both cellular and animal models.
CAS Number
301688-74-4
Field of Research
Signal Transduction, Stem Cell & Developmental Biology
Purity
98.52% (May vary between batches)
Smiles
OC (=O) CCCN1C (=S) S\C (=C\C2=CC=CC3=C2C=CC=C3) C1=O
Molecular Formula
C18H15NO3S2
Molecular Weight
357.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pin1 modulator 1
CAS Number301688-74-4
PubChem CID1363953
IUPAC Name4-[(5E)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Molecular FormulaC18H15NO3S2
Molecular Weight357.5
XLogP4.1
Topological Polar Surface Area115
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity560
SMILES
C1=CC=C2C(=C1)C=CC=C2/C=C/3\C(=O)N(C(=S)S3)CCCC(=O)O
InChI
InChI=1S/C18H15NO3S2/c20-16(21)9-4-10-19-17(22)15(24-18(19)23)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-3,5-8,11H,4,9-10H2,(H,20,21)/b15-11+
InChIKey
NMYDPSCPARBVHD-RVDMUPIBSA-N
Chemical Structure
2D Structure
2D structure of Pin1 modulator 1
CAS: 301688-74-4
CID: 1363953
Formula: C18H15NO3S2
MW: 357.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.5
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass357.04933569
Monoisotopic Mass357.04933569
Topological Polar Surface Area115 Ų
Heavy Atom Count24
Formal Charge0
Complexity560
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-49597-01Pin1 modulator 1
215772PIN1 (PIN1, DOD, PPIase Pin1, Rotamase Pin1) discontinued
ant-323PIN1
P517561PIN1/Rotamase Pin1 Protein (Human)
PKSH031710Recombinant Human PIN1/Rotamase Pin1 Protein
MBS2546362-01Recombinant Human PIN1 / Rotamase Pin1 Protein
PT_72719-01PIN1, Mouse Anti Human (PIN1 Antibody)
GWB-MW823DPIN1 Antibody
572313-01PIN1 (Biotin)
393050PIN1 discontinued

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