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Pentachloropseudilin

CAT: 0804-HY-115669-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-115669-01Size:5 mg
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Description
Pentachloropseudilin (Antibiotic A 15104 Y; PClP) is a reversible and allosteric potent inhibitor of Myo1s (class 1 myosins) with IC50s range from 1 to 5 μM for mammalian class-1 myosins and greater than 90 μM for class-2 and class-5 myosins. Pentachloropseudilin is a potent inhibitor of transforming growth factor-β (TGF-β) -stimulated signaling, with an IC50 of 0.1 to 0.2 μM for TGF-β[1][2].
CAS Number
69640-38-6
Product Name Alternative
Antibiotic A 15104 Y; PClP
UNSPSC
12352005
Target
Myosin; TGF-β Receptor
Type
Reference compound
Related Pathways
Cytoskeleton; TGF-beta/Smad
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/pentachloropseudilin.html
Purity
98.88
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
OC1=C(C2=C(Cl)C(Cl)=C(Cl)N2)C=C(Cl)C=C1Cl
Molecular Formula
C10H4Cl5NO
Molecular Weight
331.41
References & Citations
[1]Chinthalapudi K, et al. Mechanism and specificity of pentachloropseudilin-mediated inhibition of myosin motor activity. J Biol Chem. 2011;286 (34) :29700-29708.|[2]Chung CL, et al. Pentachloropseudilin Inhibits Transforming Growth Factor-β (TGF-β) Activity by Accelerating Cell-Surface Type II TGF-β Receptor Turnover in Target Cells. Chembiochem. 2018;19 (8) :851-864. |[3]Cota Teixeira S, et al. Pentachloropseudilin Impairs Angiogenesis by Disrupting the Actin Cytoskeleton, Integrin Trafficking and the Cell Cycle. Chembiochem. 2019;20 (18) :2390-2401.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Pentachloropseudilin

structure in first source

CAS Number69640-38-6
PubChem CID3053233
IUPAC Name2,4-dichloro-6-(3,4,5-trichloro-1H-pyrrol-2-yl)phenol
Molecular FormulaC10H4Cl5NO
Molecular Weight331.4
XLogP5.5
Topological Polar Surface Area36
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity281
SMILES
C1=C(C=C(C(=C1C2=C(C(=C(N2)Cl)Cl)Cl)O)Cl)Cl
InChI
InChI=1S/C10H4Cl5NO/c11-3-1-4(9(17)5(12)2-3)8-6(13)7(14)10(15)16-8/h1-2,16-17H
InChIKey
FBRLLYYPGGXCKT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pentachloropseudilin
CAS: 69640-38-6
CID: 3053233
Formula: C10H4Cl5NO
MW: 331.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight331.4
XLogP35.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass330.870602
Monoisotopic Mass328.873552
Topological Polar Surface Area36 Ų
Heavy Atom Count17
Formal Charge0
Complexity281
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

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