1,1′-Dithiobis[2-naphthalenol]
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![1,1′-Dithiobis[2-naphthalenol] structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/904bf059647f4fb1879dc76356ebc656.png "1,1′-Dithiobis[2-naphthalenol]")
1,1′-Dithiobis[2-naphthalenol]
structure -
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CAS No:
42521-82-4
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Formula:
C20H14O2S2
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Chemical Name:
1,1′-Dithiobis[2-naphthalenol]
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Synonyms:
2-Naphthalenol,1,1′-dithiobis-;2-Naphthol,1,1′-dithiodi-;1,1′-Dithiobis[2-naphthalenol];1,1′-Dithiodi-2-naphthol;Bis(2-hydroxy-1-naphthyl) disulfide;IPA 3;1,1′-Disulfanediyldinaphthalen-2-ol;p21-Activated kinase inhibitor III;1-[(2-Hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol;1081767-20-5
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CAS No:
Description
ChEBI: An organic disulfide obtained by oxidative dimerisation of 1-sulfanylnaphthalen-2-ol.
IPA-3 is an organic disulfide obtained by oxidative dimerisation of 1-sulfanylnaphthalen-2-ol. It has a role as an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor. It is an organic disulfide and a member of naphthols.
Characteristics
91.1
5.8
off-white to yellow
1.46±0.1 g/cm3(Predicted)
171 °C
soluble in DMSO or ethanol. Insoluble in water.DMSO: >20mg/mL
Store at +4°C
Safety Information
9
UN 3077 9 / PGIII
3
41-50/53
26-39-60-61
Xi,N
P273, P280, P305+P351+P338, P310, P391, P501
H318
|Danger|H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]|P273, P280, P305+P351+P338, P310, P391, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1,1′-Dithiobis[2-naphthalenol] Use and Manufacturing
p21-activated kinase 1 (PAK1) is a member of a family non-receptor serine/threonine kinases that are vital to normal cell function. Binding of various upstream partners to PAK1 results in release of an autoinhibitory domain that blocks activity of the kinase domain. PAK1 expression and activity is upregulated in several human cancers and is a potential therapeutic target for cancer intervention. IPA-3 is a cell-permeable allosteric inhibitor of PAK1 that is non-competitive with respect to ATP binding (IC50 = 2.5 μM). It does not, however, inhibit the activity of PAK1 that has been pre-activated with Cdc42. IPA-3 binds covalently to the PAK1 regulatory domain (apparent Kd = 1.9 uM) and prevents binding to the upstream activator Cdc42.[Cayman Chemical]
Computed Properties
Molecular Weight:350.5
XLogP3:5.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:350.04352203
Monoisotopic Mass:350.04352203
Topological Polar Surface Area:91.1
Heavy Atom Count:24
Complexity:380
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 1,1′-Dithiobis[2-naphthalenol]
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