IPA-3 - Moligand™, ≥95% , Inhibitor of p21 (RAC1) activated kinase 1, CAS No.42521-82-4, Inhibitor of p21 (RAC1) activated kinase 1

CAS: 42521-82-4 Cat. No.: I125982 Molecular Weight: 350.45 EC Number: 631-003-0

1 Citations COA

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IPA-3 - Moligand™, ≥95% CAS No(42521-82-4) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY Moligand™ ? ≥95%

Synonyms

A918483 | GTPL8940 | HMS3263P06 | NCGC00186047-12 | UNII-3XFG6MQ9G2 | NCGC00186047-02 | HMS3678C17 | IPA3 | IPA-3 | MFCD00388917 | Z57109489 | s7093 | CCG-222576 | D83674 | HMS3414C17 | 2-Naphthalenol, 1,1'-dithiobis- | NCGC00186047-01 | HMS3229J05 | IPA-

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Citations of This Product References Solution Calculators Reviews

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Why this grade

Moligand™, ≥95% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C,Protected from light Ships Wet ice 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

IPA-3

Specifications

Synonyms

A918483 | GTPL8940 | HMS3263P06 | NCGC00186047-12 | UNII-3XFG6MQ9G2 | NCGC00186047-02 | HMS3678C17 | IPA3 | IPA-3 | MFCD00388917 | Z57109489 | s7093 | CCG-222576 | D83674 | HMS3414C17 | 2-Naphthalenol, 1, 1'-dithiobis- | NCGC00186047-01 | HMS3229J05 | IPA-

Specifications & Purity

Moligand™, ≥95%

Biochemical and Physiological Mechanisms

IPA-3 is an allosteric inhibitor of Pak1. It binds to autoinhibitory domain of Pak1 (p21 activated kinase), highly selective amongst kinases. Pak1 is implicated in tumorigenesis and metastasis.

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of p21 (RAC1) activated kinase 1

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥95%

Names and Identifiers

Canonical Smiles	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O
IUPAC Name	1-[(2-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol
InChIKey	RFAXLXKIAKIUDT-UHFFFAOYSA-N
INCHI	1S/C20H14O2S2/c21-17-11-9-13-5-1-3-7-15(13)19(17)23-24-20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H
Isomeric SMILES	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O
WGK Germany	3
Molecular Weight	350.45
Reaxy-Rn	2598991
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2598991&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

Download SDS →

✅ Certificate of Analysis (COA)

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

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Naphthalenes
    - Subclass Naphthols and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Naphthalenes
Subclass	Naphthols and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Naphthols and derivatives
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids Organic disulfides Sulfenyl compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	2-naphthol - 1-hydroxy-2-unsubstituted benzenoid - Organic disulfide - Sulfenyl compound - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

PAK1 Tchem Serine/threonine-protein kinase PAK 1 (1 Activities)

Discover Target: PAK1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

APP Tclin Amyloid-beta A4 protein (8510 Activities)

Discover Target: APP

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PAK1 Tchem Serine/threonine-protein kinase PAK 1 (2601 Activities)

Discover Target: PAK1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PAK6 Tchem Serine/threonine-protein kinase PAK6 (1915 Activities)

Discover Target: PAK6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PAK5 Tchem Serine/threonine-protein kinase PAK7 (1760 Activities)

Discover Target: PAK5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

5637 (630 Activities)

Lot Number	Certificate Type	Date	Item
A2629185	Certificate of Analysis	Feb 02, 2026	I125982
L2314362	Certificate of Analysis	Sep 17, 2025	I125982
L2314363	Certificate of Analysis	Sep 17, 2025	I125982
L2314364	Certificate of Analysis	Sep 17, 2025	I125982
L2314365	Certificate of Analysis	Sep 17, 2025	I125982
L2314366	Certificate of Analysis	Sep 17, 2025	I125982
L2314367	Certificate of Analysis	Sep 17, 2025	I125982
L2314368	Certificate of Analysis	Sep 17, 2025	I125982
L2314369	Certificate of Analysis	Sep 17, 2025	I125982

Solubility	DMSO 70 mg/mL Water <1 mg/mL Ethanol 7 mg/mL
Sensitivity	light sensitive
Molecular Weight	350.500 g/mol
XLogP3	5.800
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	350.044 Da
Monoisotopic Mass	350.044 Da
Topological Polar Surface Area	91.100 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	380.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

IPA-3 - Moligand™, ≥95% , Inhibitor of p21 (RAC1) activated kinase 1, CAS No.42521-82-4, Inhibitor of p21 (RAC1) activated kinase 1

Why this grade

Storage & shipping

Quality documents

Literature proof

Overview

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Customer Reviews

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