S3I-201 - ≥96% , CAS No.501919-59-1

CAS: 501919-59-1 Cat. No.: S129625 분자식: C16H15NO7S 분자량: 365.36 PubChem CID: 252682
주문 가능
등급 & 순도 ≥96%
Synonyms
NSC 74859 | AKOS016366328 | Q-103549 | SCHEMBL4456216 | 2-Hydroxy-4-(((4-methylphenyl)sulfonyloxy)acetyl)amino)-benzoic acid | CHEBI:91224 | S31-201 | AC-32045 | EX-A342 | S3I201 | s-3i-201 | S3I-201 | MLS002701911 | GLG-302 | S3I 201 | JG1E8503OI | NCGC0
Storage
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
★
크기
USA
독일 (EU)*
가격
수량
5mg
S129625-5mg
2 재고 있음
—
US$59.90
10mg
S129625-10mg
2 재고 있음
—
US$75.90
25mg
S129625-25mg
2 재고 있음
—

US$108.90

US$171.90
저장 US$63.00 (36.65%)
50mg
S129625-50mg
주문제작 · 8~12주

US$145.90

US$190.90
저장 US$45.00 (23.57%)
100mg
S129625-100mg
주문제작 · 8~12주

US$232.90

US$358.90
저장 US$126.00 (35.11%)
Enter a quantity for the sizes you want to add.
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이 등급을 선택하는 이유

≥96% 최소한의 기준선 간섭이 필요한 민감한 크로마토그래피 및 분석 워크플로우용.

🌡

보관 및 배송

Store at -20°C,Argon charged Ice chest + Ice pads 출고. 정확한 사양은 로트별 COA를 확인하세요.

📋

품질 문서

SDS, COA, 데이터시트, 사양서를 다운로드할 수 있습니다. 로트별 COA는 로트 번호 조회를 통해 확인할 수 있습니다.

📚

문헌적 근거

크로마토그래피, 유기 합성 및 교차 커플링 반응 분야의 동료 심사 논문 0편에서 인용되었습니다.

개요

S3I-201 (NSC 74859) effectively inhibits the DNA binding activity of STAT3 with IC50 of 86 μM, but has low inhibitory activity on STAT1 and STAT5.

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

사양

동의어
NSC 74859 | AKOS016366328 | Q-103549 | SCHEMBL4456216 | 2-Hydroxy-4-(((4-methylphenyl)sulfonyloxy)acetyl)amino)-benzoic acid | CHEBI:91224 | S31-201 | AC-32045 | EX-A342 | S3I201 | s-3i-201 | S3I-201 | MLS002701911 | GLG-302 | S3I 201 | JG1E8503OI | NCGC0
사양 및 순도
≥96%
생화학 및 생리적 메커니즘
NSC 74859 (S3I-201) inhibits Stat3-Stat3 complex formation and Stat3 DNA-binding (IC50 =86 ±33μM) and transcriptional activities. Furthermore, S31-201 inhibits growth and induces apoptosis preferentially in tumor cells that contain persistently
보관 조건
Store at -20°C,Argon charged
배송
Ice chest + Ice pads
이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.
참고
Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
순수함
≥96%
이름과 식별자
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504758127
정식 스마일
CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)NC2=CC(=C(C=C2)C(=O)O)O
IUPAC Name
2-hydroxy-4-[[2-(4-methylphenyl)sulfonyloxyacetyl]amino]benzoic acid
InChIKey
HWNUSGNZBAISFM-UHFFFAOYSA-N
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)
이성체 SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)NC2=CC(=C(C=C2)C(=O)O)O
WGK 독일
3
PubChem CID
252682
분자량
365.36

문서

📋 안전 데이터 시트(SDS)

위험성, 취급, 보관 및 규제 준수를 포괄하는 종합 문서.

<<<<<<< HEAD SDS 다운로드 → ======= SDS 다운로드 → >>>>>>> release248-p3

✅ 분석 성적서(COA)

로트별 품질 데이터. 로트 번호를 입력하여 정확한 COA를 확인하세요.

COA 조회 →

📊 데이터시트

제품 사양 및 응용 분야에 대한 빠른 참조 요약.

데이터시트 보기 →

🔬 사양서

이 등급의 전체 품질 특성 및 합격 기준.

사양서 보기 →

고급 데이터

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
분류Benzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentAcylaminobenzoic acid and derivatives
Alternative Parents p-Methylbenzenesulfonates  Benzenesulfonate esters  Tosyl compounds  Salicylic acids  Anilides  Arylsulfonic acids and derivatives  Benzenesulfonyl compounds  Benzoic acids  N-arylamides  Benzoyl derivatives  1-hydroxy-4-unsubstituted benzenoids  1-hydroxy-2-unsubstituted benzenoids  Organosulfonic acid esters  Vinylogous acids  Sulfonyls  Secondary carboxylic acid amides  Monocarboxylic acids and derivatives  Carboxylic acids  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Organopnictogen compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Acylaminobenzoic acid or derivatives - P-methylbenzenesulfonate - Benzenesulfonate ester - Salicylic acid - Benzenesulfonate - Tosyl compound - Salicylic acid or derivatives - Hydroxybenzoic acid - Arylsulfonic acid or derivatives - Benzoic acid - Anilide - Benzenesulfonyl group - N-arylamide - Benzoyl - Toluene - 1-hydroxy-4-unsubstituted benzenoid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Organosulfonic acid ester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Vinylogous acid - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic compound
설명This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
STAT3 Tchem Signal transducer and activator of transcription 3 (3313 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Huh-7 (12904 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-468 (9477 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SNU-398 (481 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-435 (38290 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-231 (73002 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FEN1 Tchem Flap endonuclease 1 (12055 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLK Tbio DNA polymerase kappa (8653 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLH Tchem DNA polymerase eta (21678 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SNU-449 (154 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SNU-475 (119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CTDSP1 Tchem Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 (1031 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
WRN Tbio Werner syndrome ATP-dependent helicase (8824 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SIRT5 Tchem NAD-dependent protein deacylase sirtuin-5, mitochondrial (1056 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
관련 대상(비인간)
tat Human immunodeficiency virus type 1 Tat protein (75 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NIH3T3 (5395 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Stat1 Signal transducer and activator of transcription 1 (5 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Phosphoglycerate kinase, glycosomal (2184 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
clpP ATP-dependent Clp protease proteolytic subunit (245 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Stat3 Signal transducer and activator of transcription 1/ 3 (13 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot NumberCertificate Type날짜항목
I2127285I2127285Certificate of AnalysisApr 03, 2025 S129625
I2127286I2127286Certificate of AnalysisApr 03, 2025 S129625
I2127287I2127287Certificate of AnalysisApr 03, 2025 S129625
I2127331I2127331Certificate of AnalysisApr 03, 2025 S129625
I2127333I2127333Certificate of AnalysisApr 03, 2025 S129625
화학 및 물리적 특성
용해성DMSO 73 mg/mL Water <1 mg/mL Ethanol <1 mg/mL
감도Moisture sensitive
분자량365.400 g/mol
XLogP33.000
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass365.057 Da
Monoisotopic Mass365.057 Da
Topological Polar Surface Area138.000 Ų
Heavy Atom Count25
Formal Charge0
Complexity578.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
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