Name: C188-9 - Moligand™, ≥98% , Inhibitor of signal transducer and activator of transcription 3, CAS No.432001-19-9, Inhibitor of signal transducer and activator of transcription 3
SKU: C414081
Availability: InStock

C188-9 - Moligand™, ≥98% , Inhibitor of signal transducer and activator of transcription 3, CAS No.432001-19-9, Inhibitor of signal transducer and activator of transcription 3

CAS: 432001-19-9 Cat. No.: C414081 분자식: C₂₇H₂₁NO₅S 분자량: 471.52 EC 번호: 836-653-0

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C188-9 - Moligand™, ≥98% CAS No(432001-19-9) by Aladdin Scientific

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주문 가능

GRADE & PURITY Moligand™ ? ≥98%

Synonyms

GTPL12268 | N-(4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl)-4-methoxybenzenesulfonamide | EX-A1961 | C 188-9 | C75162 | BCP28881 | N-(1',2-dihydroxy-[1,2'-binaphthalen]-4'-yl)-4-methoxybenzenesulfonamide | UNII-KZ3DLD11RQ | NCGC00262829-02 | Ben

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

개요 Specifications 제품 특성 이름과 식별자 Documentation Advanced Data Taxonomic Classification 3D 구조 관련 대상(인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 솔루션 계산기 리뷰

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Why this grade

Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Protected from light,Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

개요

Information

C188-9 (TTI 101) is a potent inhibitor ofSTAT3that binds to STAT3 with high affinity (KD=4.7±0.4 nM). C188-9 is well tolerated in mice, shows good oral bioavailability, and is concentrated in tumors.

Targets

STAT3 (Cell-free) 4.7 nM(Kd)

In vitro

C188-9 is a small-molecule inhibitor of Stat3 that targets the phosphotyrosyl peptide binding site within the Stat3 Src homology 2 (SH2) domain with Ki 136 nM. It does not inhibit upstream Jak or Src kinases.

In vivo

Treatment of nude mice bearing xenografts of UM-SCC-17B, a radioresistant HNSCC line, with C188-9, but not C188, prevented tumor xenograft growth. C188-9 was well tolerated in mice, showed good oral bioavailability, and was concentrated in tumors.

Cell Research(from reference)

Cell lines：HNSCC cell line, UM-SCC-17B

Concentrations：0, 0.1, 0.3, 1, 3, 10, 30 μM

Incubation Time：24 h

Specifications

동의어

사양 및 순도

Moligand™, ≥98%

생화학 및 생리적 메커니즘

C188-9 (TTI 101) is a potent inhibitor of STAT3 that binds to STAT3 with high affinity (KD=4.7±0.4 nM). C188-9 is well tolerated in mice, shows good oral bioavailability, and is concentrated in tumors.

보관 조건

Protected from light,Store at -20°C

배송

Ice chest + Ice pads

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

등급

Moligand™

작업 유형

INHIBITOR

작동 메커니즘

Inhibitor of signal transducer and activator of transcription 3

순수함

≥98%

제품 특성

ALogP	5.152
hba_count	3
HBD 수	3
회전 가능한 결합	5

이름과 식별자

Pubchem Sid	504760464
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504760464
정식 스마일	COC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)C4=C(C=CC5=CC=CC=C54)O
IUPAC Name	N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-methoxybenzenesulfonamide
InChIKey	QDCJDYWGYVPBDO-UHFFFAOYSA-N
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
이성체 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
대체 CAS	432001-19-9
MeSH 용어	C188-9 compound;N-(4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl)-4-methoxybenzenesulfonamide;STAT3 inhibitor TTI-101;TTI-101
분자량	471.52
Reaxy-Rn	23997464
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23997464&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - 분류 Naphthalenes
    - Subclass Naphthols and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
분류	Naphthalenes
Subclass	Naphthols and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Naphthols and derivatives
Alternative Parents	Sulfanilides Benzenesulfonamides Benzenesulfonyl compounds Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Organosulfonamides Aminosulfonyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	2-naphthol - 1-naphthol - Benzenesulfonamide - Sulfanilide - Benzenesulfonyl group - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ether - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Aromatic homopolycyclic compound
설명	This compound belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D 구조

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리뷰

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Lot Number	Certificate Type	날짜	항목
H2223144	Certificate of Analysis	Jun 09, 2025	C414081
H2223145	Certificate of Analysis	Jun 09, 2025	C414081

용해성	Solubility (25°C) In vitro DMSO: 94 mg/mL (199.35 mM); Ethanol: 6 mg/mL (12.72 mM); Water: Insoluble;
감도	Light sensitive
DMSO(mg/mL) 최대 용해도	94
DMSO(mM) 최대 용해도	199.3552766
물(mg/mL) 최대 용해도	＜1
분자량	471.500 g/mol
XLogP3	5.800
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	471.114 Da
Monoisotopic Mass	471.114 Da
Topological Polar Surface Area	104.000 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	776.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1