API SUPPLIERS

API Suppliers

0

US DMFs Filed

0

CEP/COS Certifications

0

JDMFs Filed

0

Other Certificates

0

Other Suppliers

0

API REF. PRICE (USD / KG)

5,070

API Market Place

0

INTERMEDIATES

0

DOSSIERS // FDF

USA (Orange Book)

0

Europe

0

Canada

0

Australia

0

South Africa

0

Uploaded Dossiers

0

GLOBAL SALES (USD Million)

U.S. Medicaid

0

Annual Reports

0

FDF Market Place

0

EXCIPIENTS

0

PATENTS & EXCLUSIVITIES

USFDA Orange Book Patents

0

USFDA Exclusivities

0

DIGITAL CONTENT

Blog #PharmaFlow

0

News

0

REF STANDARD

EDQM

0

USP

0

JP

0

Other Listed Suppliers

0

SERVICES

0

Also known as: C188-9, 432001-19-9, Tti-101, Stat3 inhibitor tti-101, Kz3dld11rq, C-188-9

Molecular Formula

C₂₇H₂₁NO₅S

Molecular Weight

471.5 g/mol

InChI Key

QDCJDYWGYVPBDO-UHFFFAOYSA-N

FDA UNII

KZ3DLD11RQ

STAT3 Inhibitor C-188-9 is an orally bioavailable, binaphthol-sulfonamide-based inhibitor of signal transducer and activator of transcription 3 (STAT3), with potential antineoplastic activity. Upon oral administration, the STAT3 inhibitor C-188-9 specifically targets and binds to the phosphotyrosyl peptide binding site within the Src homology 2 (SH2) domain of STAT3. This inhibits the Janus kinase (JAK)-mediated tyrosine phosphorylation and activation of STAT3. This impedes nuclear translocation of STAT3, prevents STAT3 binding to responsive gene promoters and blocks STAT3-mediated regulation of gene expression. STAT3 regulates the transcription of genes involved in several cellular functions. STAT3 is constitutively activated in a variety of human cancers and plays a key role in neoplastic transformation, uncontrolled tumor cell proliferation, resistance to apoptosis, metastasis, immune evasion, tumor angiogenesis, epithelial-mesenchymal transition (EMT) and the Warburg effect.

1 2D Structure

TTI-101

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-methoxybenzenesulfonamide

2.1.2 InChI

InChI=1S/C27H21NO5S/c1-33-18-11-13-19(14-12-18)34(31,32)28-24-16-23(27(30)22-9-5-4-8-21(22)24)26-20-7-3-2-6-17(20)10-15-25(26)29/h2-16,28-30H,1H3

2.1.3 InChI Key

QDCJDYWGYVPBDO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)C4=C(C=CC5=CC=CC=C54)O

2.2 Other Identifiers

2.2.1 UNII

KZ3DLD11RQ

2.3 Synonyms

2.3.1 MeSH Synonyms

1. C188-9 Compound

2. N-(4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl)-4-methoxybenzenesulfonamide

3. Stat3 Inhibitor Tti-101

4. Tti-101

2.3.2 Depositor-Supplied Synonyms

1. C188-9

2. 432001-19-9

3. Tti-101

4. Stat3 Inhibitor Tti-101

5. Kz3dld11rq

6. C-188-9

7. Stat3 Inhibitor C188-9

8. Tti101

9. Benzenesulfonamide, N-(1',2-dihydroxy(1,2'-binaphthalen)-4'-yl)-4-methoxy-

10. N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-methoxybenzenesulfonamide

11. N-(4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl)-4-methoxybenzenesulfonamide

12. Unii-kz3dld11rq

13. Mls006011646

14. Chembl3392776

15. Schembl16394007

16. Tti-101 [who-dd]

17. N-(1b

18. Bcp28881

19. Ex-a1961

20. Zinc1154831

21. S8605

22. Ccg-269459

23. Ncgc00262829-02

24. Ac-32659

25. Bs-17257

26. Smr004703404

27. Hy-112288

28. Cs-0044737

29. Eu-0081697

30. A16804

31. C75162

32. Ab00117290-01

33. C 188-9

34. N-[4-hydroxy-3-(2-hydroxy-1-naphthyl)-1-naphthyl]-4-methoxy-1-benzenesulfonamide

2.4 Create Date

2005-07-10

3 Chemical and Physical Properties

Molecular Formula	C₂₇H₂₁NO₅S
Molecular Weight	471.5 g/mol
XLogP3	5.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	471.11404394 g/mol
Monoisotopic Mass	471.11404394 g/mol
Topological Polar Surface Area	104 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	776
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1