LOC14 - ≥98%(HPLC) , CAS No.877963-94-5

CAS: 877963-94-5 Cat. No.: L288383 분자식: C16H19N3O2S 분자량: 317.41 EC 번호: 174-214-9
주문 가능
GRADE & PURITY ≥98%(HPLC)
Storage
Store at 2-8°C,Protected from light
Shipped In
Wet ice
★
Size
USA
독일 (EU)*
Price
Qty
5mg
L288383-5mg
3 재고 있음
—
US$146.90
10mg
L288383-10mg
1 재고 있음
—
US$211.90
25mg
L288383-25mg
1 재고 있음
—
US$417.90
50mg
L288383-50mg
1 재고 있음
—
US$696.90
100mg
L288383-100mg
1 재고 있음
—
US$858.90
Enter a quantity for the sizes you want to add.
🧪
Why this grade

≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Protected from light Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

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

Specifications

사양 및 순도
≥98%(HPLC)
생화학 및 생리적 메커니즘
High affinity protein disulfide isomerase (PDI) modulator (Kd= 62 nM). Forces PDI to adopt an oxidized conformation and suppresses its activity. Neuroprotective.
보관 조건
Store at 2-8°C,Protected from light
배송
Wet ice
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순수함
≥98%(HPLC)
이름과 식별자
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504764790
정식 스마일
C1CC1C(=O)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4S3
IUPAC Name
2-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-one
InChIKey
YVBSNHLFRIVWFQ-UHFFFAOYSA-N
INCHI
1S/C16H19N3O2S/c20-15(12-5-6-12)18-9-7-17(8-10-18)11-19-16(21)13-3-1-2-4-14(13)22-19/h1-4,12H,5-11H2
이성체 SMILES
C1CC1C(=O)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4S3
분자량
317.41
Reaxy-Rn
29731634
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29731634&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

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
분류Benzothiazoles
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzothiazoles
Alternative Parents N-alkylpiperazines  Cyclopropanecarboxylic acids and derivatives  Benzenoids  Thiazoles  Tertiary carboxylic acid amides  Heteroaromatic compounds  Lactams  Azacyclic compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 1,2-benzothiazole - N-alkylpiperazine - Cyclopropanecarboxylic acid or derivatives - 1,4-diazinane - Benzenoid - Piperazine - Azole - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
설명This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
P4HB Tchem Protein disulfide-isomerase (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
P4HB Tchem Protein disulfide-isomerase (716 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
F2204991Certificate of AnalysisMar 04, 2025 L288383
F2204992Certificate of AnalysisMar 04, 2025 L288383
F2204993Certificate of AnalysisMar 04, 2025 L288383
F2204994Certificate of AnalysisMar 04, 2025 L288383
F2204995Certificate of AnalysisMar 04, 2025 L288383
화학 및 물리적 특성
용해성Solvent:DMSO, Max Conc. mg/mL: 31.74, Max Conc. mM: 100
감도light sensitive
분자량317.400 g/mol
XLogP31.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass317.12 Da
Monoisotopic Mass317.12 Da
Topological Polar Surface Area69.200 Ų
Heavy Atom Count22
Formal Charge0
Complexity460.000
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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리뷰

고객 리뷰

자주 묻는 질문

What is the purity of this product, and how is it determined?
This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at 2–8 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.
How is this product shipped?
This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 877963-94-5, the molecular formula is C16H19N3O2S, and the molecular weight is 317.41 g/mol. InChIKey YVBSNHLFRIVWFQ-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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