Drug Details

General Information of the Drug (ID: DR9688)
Name
S3I-201
Synonyms
501919-59-1; Nsc 74859; S3I-201; S31-201; 2-hydroxy-4-(2-(tosyloxy)acetamido)benzoic acid; NSC-74859; NSC74859; UNII-JG1E8503OI; MLS002701911; JG1E8503OI; NSC 74859 (S3I-201); 2-Hydroxy-4-[[2-[[(4-methylphenyl)sulfonyl]oxy]acetyl]amino]benzoic acid; Benzoic acid, 2-hydroxy-4-((2-(((4-methylphenyl)sulfonyl)oxy)acetyl)amino)-; SMR001565495; Benzoic acid, 2-hydroxy-4-[[2-[[(4-methylphenyl)sulfonyl]oxy]acetyl]amino]-; Salicylic acid, 4-p-toluenesulfonate; S3I201; STAT3-inhibitor-VI; S3I 201; NCIOpen2_008987; cc-515; MLS006011065; CHEMBL477936; cid_252682; SCHEMBL4456216; BDBM20283; CHEBI:91224; AOB4162; DTXSID00198234; EX-A342; GLG-302; BCPP000083; HMS3654C12; BCP01761; ZINC1621282; 2-hydroxy-4-[[2-(4-methylphenyl)sulfonyloxyacetyl]amino]benzoic acid; ABP000942; s1155; AKOS016366328; AM81245; CCG-268227; CS-0512; QC-8386; SB17268; NCGC00262641-02; NSC 74859,S3I-201; AC-32045; AK175837; AS-55944; HY-15146; AB0007928; FT-0704713; S31-201,NSC74859/; S3I-201 (NSC-74859); S3I-201 - NSC 74859; SW219398-1; X7562; S3I-201, >=97% (HPLC); A25494; S-7755; J-509627; Q27163139; 2-hydroxy-4-((((4-methylphenyl)sulfonyloxy)acetyl)amino)-benzoic acid; 2-hydroxy-4-(2-{[(4-methylbenzene)sulfonyl]oxy}acetamido)benzoic acid; 2-Hydroxy-4-[[[[(4-methylphenyl)sulfonyl]oxy]acetyl]amino]-benzoic acid; 2-hydroxy-4-{2-[(4-methylbenzene-1-sulfonyl)oxy]acetamido}benzoic acid; S3I-201; ; ; 2-Hydroxy-4-[[2-(4-methylphenyl)sulfonyloxyacetyl]amino]benzoic acid
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Molecular Type
Small molecule
Disease Lupus nephritis [ICD-11: 4A40] Investigative [1]
Structure
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2D MOL

3D MOL

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Formula
C16H15NO7S
PubChem CID
252682
Canonical SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)NC2=CC(=C(C=C2)C(=O)O)O
InChI
1S/C16H15NO7S/c1-10-2-5-12(6-3-10)25(22,23)24-9-15(19)17-11-4-7-13(16(20)21)14(18)8-11/h2-8,18H,9H2,1H3,(H,17,19)(H,20,21)
InChIKey
HWNUSGNZBAISFM-UHFFFAOYSA-N
CAS Number
CAS 501919-59-1
ChEBI ID
CHEBI:91224
TTD Drug ID
D0TU0X
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug
          Cladribine      Homo sapiens     Click to Show/Hide the Molecular Data of This NP
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    Molecule(s)
                    Regulation		 Up-regulation Cleavage CASP3  Molecule Info 
Pathway MAP
Up-regulation Cleavage CASP8  Molecule Info 
Pathway MAP
Up-regulation Cleavage PARP1  Molecule Info 
Pathway MAP
                    In-vitro Model U266B1 CVCL_0566 Plasma cell myeloma Homo sapiens
RPMI-8226 CVCL_0014 Plasma cell myeloma Homo sapiens
MM1.S CVCL_8792 Plasma cell myeloma Homo sapiens
                    Experimental
                    Result(s)		 Cladribine exhibited inhibitory effects on MM cells in vitro. MM1.S is the only cell line showing significant response to the clinically achievable concentrations of cladribine-induced apoptosis and inactivation of STAT3.
Target and Pathway
Target(s) Signal transducer and activator of transcription 5 (STAT5)  Molecule Info  [3]
STAT factor 1 (STAT1)  Molecule Info  [3]
STAT factor 3 (STAT3)  Molecule Info  [3]
KEGG Pathway Chemokine signaling pathway Click to Show/Hide
2 HIF-1 signaling pathway
3 FoxO signaling pathway
4 Signaling pathways regulating pluripotency of stem cells
5 Jak-STAT signaling pathway
6 Prolactin signaling pathway
7 Adipocytokine signaling pathway
8 Toxoplasmosis
9 Hepatitis C
10 Hepatitis B
11 Measles
12 Epstein-Barr virus infection
13 Pathways in cancer
14 Viral carcinogenesis
15 Proteoglycans in cancer
16 MicroRNAs in cancer
17 Pancreatic cancer
18 Acute myeloid leukemia
19 Inflammatory bowel disease (IBD)
20 Osteoclast differentiation
21 Toll-like receptor signaling pathway
22 Thyroid hormone signaling pathway
23 Leishmaniasis
24 Tuberculosis
25 Influenza A
26 Herpes simplex infection
NetPath Pathway FSH Signaling Pathway Click to Show/Hide
2 IL2 Signaling Pathway
3 IL4 Signaling Pathway
4 TCR Signaling Pathway
Panther Pathway Angiogenesis Click to Show/Hide
2 EGF receptor signaling pathway
3 Inflammation mediated by chemokine and cytokine signaling pathway
4 Interleukin signaling pathway
5 JAK/STAT signaling pathway
6 PDGF signaling pathway
7 Ras Pathway
8 CCKR signaling map ST
9 Interferon-gamma signaling pathway
10 Oxidative stress response
Pathway Interaction Database GMCSF-mediated signaling events Click to Show/Hide
2 IL27-mediated signaling events
3 Signaling events mediated by PTP1B
4 IL12-mediated signaling events
5 Signaling events mediated by TCPTP
6 Signaling events mediated by HDAC Class I
7 IL2-mediated signaling events
8 CXCR4-mediated signaling events
9 EGF receptor (ErbB1) signaling pathway
10 IFN-gamma pathway
11 ErbB1 downstream signaling
12 ErbB2/ErbB3 signaling events
13 IL6-mediated signaling events
14 PDGFR-beta signaling pathway
15 Neurotrophic factor-mediated Trk receptor signaling
16 IL23-mediated signaling events
17 Signaling events mediated by Stem cell factor receptor (c-Kit)
18 FGF signaling pathway
19 RAC1 signaling pathway
20 Notch-mediated HES/HEY network
21 IL12 signaling mediated by STAT4
22 SHP2 signaling
23 Glucocorticoid receptor regulatory network
24 TNF receptor signaling pathway
25 EPO signaling pathway
Reactome Interleukin-6 signaling Click to Show/Hide
2 Senescence-Associated Secretory Phenotype (SASP)
3 POU5F1 (OCT4), SOX2, NANOG activate genes related to proliferation
4 Transcriptional regulation of pluripotent stem cells
5 Growth hormone receptor signaling
6 ISG15 antiviral mechanism
WikiPathways Serotonin Receptor 2 and STAT3 Signaling Click to Show/Hide
2 Notch Signaling Pathway
3 Interferon type I signaling pathways
4 EPO Receptor Signaling
5 TGF Beta Signaling Pathway
6 IL-2 Signaling Pathway
7 EGF/EGFR Signaling Pathway
8 IL-4 Signaling Pathway
9 IL-6 signaling pathway
10 Signaling of Hepatocyte Growth Factor Receptor
11 Kit receptor signaling pathway
12 Nuclear Receptors Meta-Pathway
13 Estrogen Receptor Pathway
14 TCA Cycle Nutrient Utilization and Invasiveness of Ovarian Cancer
15 IL-3 Signaling Pathway
16 Dopaminergic Neurogenesis
17 Transcriptional regulation of pluripotent stem cells
18 Mammary gland development pathway - Involution (Stage 4 of 4)
19 Signaling by SCF-KIT
20 Interleukin-6 signaling
21 Growth hormone receptor signaling
22 JAK/STAT
23 PDGF Pathway
24 BDNF signaling pathway
25 Oncostatin M Signaling Pathway
26 Adipogenesis
27 Interleukin-11 Signaling Pathway
28 AGE/RAGE pathway
29 Prostate Cancer
30 TSLP Signaling Pathway
31 IL-9 Signaling Pathway
32 IL17 signaling pathway
33 IL-7 Signaling Pathway
34 Regulation of Microtubule Cytoskeleton
35 Leptin signaling pathway
36 TSH signaling pathway
37 Cell Differentiation - Index
38 Cell Differentiation - meta
39 Signaling by PDGF
40 NGF signalling via TRKA from the plasma membrane
41 TFs Regulate miRNAs related to cardiac hypertrophy
42 MicroRNAs in cardiomyocyte hypertrophy
43 Physiological and Pathological Hypertrophy of the Heart
44 Androgen receptor signaling pathway
45 IL-5 Signaling Pathway
46 Toll-like receptor signaling pathway
47 Type II interferon signaling (IFNG)
48 Endochondral Ossification
49 p38 MAPK Signaling Pathway
50 Endoderm Differentiation
51 Integrated Pancreatic Cancer Pathway
52 Allograft Rejection
53 Type III interferon signaling
54 RANKL/RANK Signaling Pathway
55 Integrated Breast Cancer Pathway
56 Integrated Cancer pathway
57 Regulation of toll-like receptor signaling pathway
References
Reference 1 S3I-201 ameliorates tubulointerstitial lesion of the kidneys in MRL/lpr mice. Biochem Biophys Res Commun. 2018 Sep 3;503(1):177-180.
Reference 2 Therapeutic potential of cladribine in combination with STAT3 inhibitor against multiple myeloma. BMC Cancer. 2011 Jun 16;11:255.
Reference 3 A STAT inhibitor patent review: progress since 2011.Expert Opin Ther Pat. 2015;25(12):1397-421.
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