Name: ATB 346 - 10mM in DMSO , CAS No.1226895-20-0
SKU: A420974
Availability: InStock

ATB 346 - 10mM in DMSO , CAS No.1226895-20-0

CAS: 1226895-20-0 Cat. No.: A420974 分子式: C₂₁H₁₉NO₃S 分子量: 365.45

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ATB 346 - 10mM in DMSO CAS No(1226895-20-0) by Aladdin Scientific

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注文可能

GRADE & PURITY 10mM in DMSO

Synonyms

1226895-20-0|ATB-346|ATB 346|Otenaproxesul|4-carbamothioylphenyl 2-(6-methoxynaphthalen-2-yl)propanoate|(S)-atb-346|2-Naphthaleneacetic acid, 6-methoxy-alpha-methyl-, 4-(aminothioxomethyl)phenyl ester|3096O7WP53|(4-carbamothioylphenyl) 2-(6-methoxynaphtha

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要 Specifications 製品の性質名前と識別子 Documentation Advanced Data Taxonomic Classification 3 D構造関連ターゲット（人間）関連ターゲット（非人間）作用メカニズム証明書（CoA、COO、BSE/TSEと分析図）化学的性質と物理的性質ソリューション計算機レビュー

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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs 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.

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Literature proof

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

概要

Information

ATB 346 ATB 346, a novel hydrogen sulphide-releasing derivative of naproxen with remarkably reduced toxicity, inhibits COX activity. ATB 346 is an anti-inflammatory agent that induces apoptosis of human melanoma cells.

Targets

COX

Specifications

同義語

1226895-20-0 | ATB-346 | ATB 346 | Otenaproxesul | 4-carbamothioylphenyl 2-(6-methoxynaphthalen-2-yl)propanoate | (S)-atb-346 | 2-Naphthaleneacetic acid, 6-methoxy-alpha-methyl-, 4-(aminothioxomethyl)phenyl ester | 3096O7WP53 | (4-carbamothioylphenyl) 2-(6-methoxynaphtha

仕様と純度

10mM in DMSO

生化学的・生理学的メカニズム

ATB 346, a novel hydrogen sulphide-releasing derivative of naproxen with remarkably reduced toxicity, inhibits COX activity. ATB 346 is an anti-inflammatory agent that induces apoptosis of human melanoma cells.

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

製品の性質

ALogP	4.521
hba_count	3
HBD数	1
回転可能な結合	6

名前と識別子

パブケム・シド	528763168
カノニカル・スマイル	CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OC3=CC=C(C=C3)C(=S)N
IUPAC Name	(4-carbamothioylphenyl) 2-(6-methoxynaphthalen-2-yl)propanoate
InChIKey	YCNMAPLPQYQJFC-UHFFFAOYSA-N
INCHI	1S/C21H19NO3S/c1-13(21(23)25-18-8-5-14(6-9-18)20(22)26)15-3-4-17-12-19(24-2)10-7-16(17)11-15/h3-13H,1-2H3,(H2,22,26)
異性体SMILES	CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OC3=CC=C(C=C3)C(=S)N
分子量	365.45
Reaxy-Rn	12656874
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12656874&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
  - 分類 Naphthalenes

Kingdom	Organic compounds
Superclass	Benzenoids
分類	Naphthalenes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Naphthalenes
Alternative Parents	Phenol esters Phenoxy compounds Anisoles Alkyl aryl ethers Thioamides Carboxylic acid esters Thiocarboxylic acid amides Monocarboxylic acids and derivatives Thiocarbonyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Phenol ester - Naphthalene - Phenoxy compound - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Thioamide - Carboxylic acid ester - Thiocarboxylic acid amide - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Thiocarbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homopolycyclic compound
説明	This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
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

3 D構造

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レビュー

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DMSO（mg / mL）最大溶解度	73
DMSO（mM）最大溶解度	199.753728280202
水（mg / mL）最大溶解度	＜1
分子量	365.400 g/mol
XLogP3	4.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	365.109 Da
Monoisotopic Mass	365.109 Da
Topological Polar Surface Area	93.600 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	503.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1