Tti-101
Also known as STAT3 inhibitor TTI-101, Stat3 inhibitor c188-9, TTI 101
Key facts
What buyers check first
- CAS number
- 432001-19-9
- Formula
- C27H21NO5S
- Molar mass
- 471.53 g/mol
- EC number
- 836-653-0
- HS code
- 293590
- Category
- Screening compounds
What is Tti-101?
Plain description, key identifiers and synonyms
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.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-methoxybenzenesulfonamide
- CAS number
- 432001-19-9
- EC number
- 836-653-0
- Molecular formula
- C27H21NO5S
- UNII
- KZ3DLD11RQ
- MDL number
- MFCD03141581
- InChIKey
- QDCJDYWGYVPBDO-UHFFFAOYSA-N
- 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
- SMILES (canonical and isomeric)
- COC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)C4=C(C=CC5=CC=CC=C54)O
Synonyms
- STAT3 inhibitor TTI-101
- Stat3 inhibitor c188-9
- TTI 101
- Benzenesulfonamide, N-(1',2-dihydroxy(1,2'-binaphthalen)-4'-yl)-4-methoxy-
- C188-9 compound
- N-(1',2-dihydroxy-[1,2'-binaphthalen]-4'-yl)-4-methoxybenzenesulfonamide
- N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-methoxybenzenesulfonamide
- N-(4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl)-4-methoxybenzenesulfonamide
- N-(1B
- C188-9 (TTI-101)
- N-(1',2-dihydroxy[1,2'-binaphthalen]-4'-yl)-4-methoxy-Benzenesulfonamide
- N-(1',2-Dihydroxy[1,2'-binaphthalen]-4'-yl)-4-methoxybenzenesulfonamide
- N-[4-hydroxy-3-(2-hydroxy-1-naphthyl)-1-naphthyl]-4-methoxy-benzenesulfonamide
- N-(1 inverted exclamation mark ,2-Dihydroxy-[1,2 inverted exclamation mark -binaphthalen]-4 inverted exclamation mark -yl)-4-methoxybenzenesulfonamide
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 471.53 g/molcalc.Computed value |
|---|---|
| Exact mass | 471.114 Dacalc.Computed value |
| LogP (octanol/water) | 5.88calc.Computed value |
| Topological polar surface area | 95.86 Ųcalc.Computed value |
| Hydrogen bond donors | 3calc.Computed value |
| Hydrogen bond acceptors | 5calc.Computed value |
| Rotatable bonds | 5calc.Computed value |
| Heavy atoms | 34calc.Computed value |
| Rings | 5calc.Computed value |
| Aromatic rings | 5calc.Computed value |
| Fraction sp3 carbons | 0.04calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (1 violation)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
O=S(=O)(Nc1cc(-c2cccc3ccccc23)cc2ccccc12)c1ccccc1
5 rings, 30 atoms.
7 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H302Harmful if swallowed.
- H315Causes skin irritation.
- H319Causes serious eye irritation.
- H335May cause respiratory irritation.
Precautionary statements (19)
- P261Avoid breathing dust, fume, gas, mist, vapours or spray.
- P264Wash skin thoroughly after handling.
- P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
- P270Do not eat, drink or smoke when using this product.
- P271Use only outdoors or in a well-ventilated area.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P301 + P317If swallowed: Get medical help.
- P302 + P352If on skin: Wash with plenty of water.
- P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
- P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P319Get medical help if you feel unwell.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P330Rinse mouth.
- P332 + P317If skin irritation occurs: Get medical help.
- P337 + P317If eye irritation persists: Get medical help.
- P362 + P364Take off contaminated clothing. And wash it before reuse.
- P403 + P233Store in a well-ventilated place. Keep container tightly closed.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidTti-101 suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- China, ShanghaiUnclaimed profileTti-101Grade, purity and minimum order on requestPrice on request
- United States, San DiegoUnclaimed profileTti-101Grade, purity and minimum order on requestPrice on request
- China, GuangzhouUnclaimed profileTti-101Grade, purity and minimum order on requestPrice on request
- Price on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
Where suppliers are based
4 suppliers in 2 countries
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Tti-101 price
Indicative price range per kg from live supplier offers
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Uses and applications
What the substance is used for, by industry and function
Industries and functions
Roles
- antifibrotic agent
- antineoplastic agent
- pharmaceutical
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Tti-101 is traded under.
Sulphonamides, other
- United States23.6%
- Slovenia19.1%
- Spain11.7%
* Partner reported figures, a lower bound.
The HS code shown for Tti-101 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
![4-Ethoxy-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]benzenesulfonamide chemical structure, C28H23NO5S, CAS 477498-57-0](/s/GJWONICYIWIJKF-UHFFFAOYSA-N.svg)
![N-[4-Hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-methylbenzenesulfonamide chemical structure, C27H21NO4S, CAS 36062-29-0](/s/VGXZROWGKNVLCO-UHFFFAOYSA-N.svg)
![N-[4-Hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]benzenesulfonamide chemical structure, C26H19NO4S, CAS 36062-31-4](/s/JLHQSSKCNONIFX-UHFFFAOYSA-N.svg)
![N-(1',2-Dihydroxy-[1,2'-binaphthalen]-4'-yl)-4-ethylbenzenesulfonamide chemical structure, C28H23NO4S, CAS 425373-68-8](/s/AEFDQOZSDOVHPZ-UHFFFAOYSA-N.svg)
![N-[4-Hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-3-nitrobenzenesulfonamide chemical structure, C26H18N2O6S, CAS 425402-17-1](/s/YYMPGROLZMJWSX-UHFFFAOYSA-N.svg)
Same formula isomers
Different compounds that share this molecular formula
![Benzyl 2-methyl-5-[(phenylsulfonyl)amino]naphtho[1,2-b]furan-3-carboxylate chemical structure, C27H21NO5S, CAS 442553-88-0](/s/CWINOVWDYLJXJF-UHFFFAOYSA-N.svg)
![5-[4-(Benzyloxy)phenyl]-1-(furan-2-ylmethyl)-3-hydroxy-4-(thiophen-2-ylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one chemical structure, C27H21NO5S, CAS 618373-32-3](/s/DYJXXSQJLIDGLD-UHFFFAOYSA-N.svg)
![Ethyl 4-{1-[4-(methylsulfanyl)phenyl]-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl}benzoate chemical structure, C27H21NO5S, CAS 827004-07-9](/s/CVONQMCPGFTMQD-UHFFFAOYSA-N.svg)
![2-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)-4-(4-methoxyphenyl)thiophene-3-carboxylic acid chemical structure, C27H21NO5S, CAS 2639441-73-7](/s/ZCGBUSFMNKQJQH-UHFFFAOYSA-N.svg)
![3-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)-5-(4-methoxyphenyl)thiophene-2-carboxylic acid chemical structure, C27H21NO5S, CAS 2639454-92-3](/s/DBNLBMAJNZPFHX-UHFFFAOYSA-N.svg)
Frequently asked questions
Quick answers about Tti-101, based on the data on this page
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Guides for buyers
Practical guides that help when you source, ship or handle Tti-101
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
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