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S 3I201

S 3I201 structure

CAS No:
501919-59-1
Formula:
C16H15NO7S
Chemical Name:
S 3I201
Synonyms:
Benzoic acid,2-hydroxy-4-[[2-[[(4-methylphenyl)sulfonyl]oxy]acetyl]amino]-;Benzoic acid,2-hydroxy-4-[[[[(4-methylphenyl)sulfonyl]oxy]acetyl]amino]-;2-Hydroxy-4-[[2-[[(4-methylphenyl)sulfonyl]oxy]acetyl]amino]benzoic acid;NSC 74859;S 3I201;S 31-201;S3I-201;GLG 302;2-Hydroxy-4-(2-(tosyloxy)acetamido)benzoic acid;S3I 201;1651228-19-1
Categories:
Biochemical Engineering > Inhibitors

Description

NSC 74859 is a selective Stat3 inhibitor with an IC50 of 86±33 μM.

S3I-201 is an amidobenzoic acid obtained by formal condensation of the carboxy group of [(4-methylbenzene-1-sulfonyl)oxy]acetic acid with the amino group of 4-amino-2-hydroxybenzoic acid. It has a role as a STAT3 inhibitor. It is a monohydroxybenzoic acid, a tosylate ester and an amidobenzoic acid.

S 3I201 Basic Attributes

Molecular Weight：

365.3578

Exact Mass：

365.36

UNII：

JG1E8503OI

NSC Number：

74859

DSSTox ID：

DTXSID00198234

HScode：

2924299090

Characteristics

PSA：

138

XLogP3：

Appearance：

white to beige

Density：

1.5±0.1 g/cm3

Boiling Point：

654.7±55.0°C at 760 mmHg

Flash Point：

349.8±31.5 °C

Refractive Index：

1.642

Water Solubility：

DMSO: >10mg/mL

Storage Conditions：

-20°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

Drug Information

MeSH Entry Terms：

NSC 74859

S 3I201 Use and Manufacturing

S2I-201 is a small molecule inhibitor that provides a pathway to rational combination therapies for Melanoma.

Computed Properties

Molecular Weight:365.4
XLogP3:3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:365.05692299
Monoisotopic Mass:365.05692299
Topological Polar Surface Area:138
Heavy Atom Count:25
Complexity:578
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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NSC 74859(S3I-201)

CAS No.: 501919-59-1

Content: 99%

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