Pentachloropseudilin - ≥98% , CAS No.69640-38-6

CAS: 69640-38-6 Cat. No.: P648969 Molecular Weight: 331.41 PubChem CID: 3053233
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
DTXSID90219907 | 5-21-03-00330 (Beilstein Handbook Reference) | Phenol, 2,4-dichloro-6-(3,4,5-trichloro-2-pyrrolyl)- | SCHEMBL12666317 | 2xel | A15104 Y | IA2 | Pentachloropseudilin | 2,4-Dichloro-6-(3,4,5-Trichloro-1h-Pyrrol-2yl)phenol | 2,4-dichloro-6-(
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Size
Status
Price
Qty
5mg
P648969-5mg
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Pentachloropseudilin (Antibiotic A 15104 Y; PClP) is a reversible and allosteric potent inhibitor of Myo1s (class 1 myosins) with IC 50 s 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 IC 50 of 0.1 to 0.2 μM for TGF-β.

In Vitro

Pentachloropseudilin (PClP) inhibits TGF-β-stimulated Smad2/3 phosphorylation and plasminogen activator inhibitor-1 (PAI-1) promoter activation with an IC 50 of 0.1 μM in target cells (A549, HepG2, and Mv1Lu cells). Pentachloropseudilin attenuates TGF-β-stimulated expression of vimentin, N-cadherin, and fibronectin and, thus, blocks TGF-β-induced epithelial to mesenchymal transition (EMT) in these cells. Pentachloropseudilin (0.05 to 1 μΜ; 0-6 hours) pretreatment inhibits TGF-β-mediated (50 or 100 pM) increases in p-Smad2/3 expression to 47% (Mv1Lu) and 79% (A549), respectively. Pentachloropseudilin (0.2 μM) suppresses TGF-β-stimulated cellular responses by attenuating cell-surface expression of the type II TGF-β receptor through accelerating caveolae-mediated internalization followed by primarily lysosome-dependent degradation of the receptor, as demonstrated by sucrose density gradient analysis and immune fluorescence staining. Pentachloropseudilin (200 μM; 24 hours) exhibits and altered cell viability in HUVECs. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Synonyms
DTXSID90219907 | 5-21-03-00330 (Beilstein Handbook Reference) | Phenol, 2, 4-dichloro-6-(3, 4, 5-trichloro-2-pyrrolyl)- | SCHEMBL12666317 | 2xel | A15104 Y | IA2 | Pentachloropseudilin | 2, 4-Dichloro-6-(3, 4, 5-Trichloro-1h-Pyrrol-2yl)phenol | 2, 4-dichloro-6-(
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
Pentachloropseudilin (Antibiotic A 15104 Y; PClP) is a reversible and allosteric potent inhibitor of Myo1s (class 1 myosins) with IC 50 s range from 1 to 5 μM for mammalian class-1 myosins and greater than 90 μM for class-2 and class-5 myosins. Pentachlor
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
INHIBITOR
Purity
≥98%
Names and Identifiers
Canonical SmilesC1=C(C=C(C(=C1C2=C(C(=C(N2)Cl)Cl)Cl)O)Cl)Cl
IUPAC Name2,4-dichloro-6-(3,4,5-trichloro-1H-pyrrol-2-yl)phenol
InChIKeyFBRLLYYPGGXCKT-UHFFFAOYSA-N
INCHI1S/C10H4Cl5NO/c11-3-1-4(9(17)5(12)2-3)8-6(13)7(14)10(15)16-8/h1-2,16-17H
Isomeric SMILES C1=C(C=C(C(=C1C2=C(C(=C(N2)Cl)Cl)Cl)O)Cl)Cl
PubChem CID 3053233
Molecular Weight 331.41

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassPyrroles
SubclassSubstituted pyrroles
Intermediate Tree Nodes Not available
Direct ParentPhenylpyrroles
Alternative Parents P-chlorophenols  O-chlorophenols  Dichlorobenzenes  Aryl chlorides  Heteroaromatic compounds  Azacyclic compounds  Organooxygen compounds  Organonitrogen compounds  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 2-phenylpyrrole - 1,3-dichlorobenzene - 4-halophenol - 2-halophenol - 2-chlorophenol - 4-chlorophenol - Halobenzene - Phenol - Chlorobenzene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
MDA-MB-231 (73002 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
myoJ Myosin-J heavy chain (1 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilityDMSO : 100 mg/mL (301.74 mM; Need ultrasonic)
Molecular Weight331.400 g/mol
XLogP35.500
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass330.871 Da
Monoisotopic Mass328.874 Da
Topological Polar Surface Area36.000 Ų
Heavy Atom Count17
Formal Charge0
Complexity281.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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