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TR-100

CAT: 0931-T210006-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T210006-02Size:50 mg
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CAS Number
1128165-86-5
Target
Arp2/3 Complex
Related Pathways
Cytoskeletal Signaling
Bioactivity
TR-100 is a small molecule inhibitor targeting tumor-associated tropomyosin (Tpm) . It binds to the C-terminus of Tpm3.1, affecting its interaction with actin filaments and thus influencing their stability and function. This mechanism allows TR-100 to specifically affect actin filament bundles in cancer cells without impairing cardiac muscle function. TR-100 is useful for studying the role of Tpm3.1 in cancer cell proliferation and survival, as well as its impact on insulin-stimulated glucose uptake and insulin secretion.
Smiles
N#CC(=CC=1C=2C=CC=CC2N(C1C)CCCN(C)C)C(=O)NCCCCCCCC
Molecular Formula
C26H38N4O
Molecular Weight
422.61
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

TR100
CAS Number1128165-86-5
PubChem CID25224808
IUPAC Name(E)-2-cyano-3-[1-[3-(dimethylamino)propyl]-2-methylindol-3-yl]-N-octylprop-2-enamide
Molecular FormulaC26H38N4O
Molecular Weight422.6
XLogP5.8
Topological Polar Surface Area61.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count13
Heavy Atom Count31
Formal Charge0
Complexity620
SMILES
CCCCCCCCNC(=O)/C(=C/C1=C(N(C2=CC=CC=C21)CCCN(C)C)C)/C#N
InChI
InChI=1S/C26H38N4O/c1-5-6-7-8-9-12-16-28-26(31)22(20-27)19-24-21(2)30(18-13-17-29(3)4)25-15-11-10-14-23(24)25/h10-11,14-15,19H,5-9,12-13,16-18H2,1-4H3,(H,28,31)/b22-19+
InChIKey
XXRLIGWROLDOLS-ZBJSNUHESA-N
Chemical Structure
2D Structure
2D structure of TR100
CAS: 1128165-86-5
CID: 25224808
Formula: C26H38N4O
MW: 422.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.6
XLogP35.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count13
Exact Mass422.30456185
Monoisotopic Mass422.30456185
Topological Polar Surface Area61.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity620
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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