AZ 13705339 - ≥98%(HPLC) , CAS No.2016806-57-6

CAS: 2016806-57-6 Cat. No.: A288808 分子式: C33H36FN7O3S 分子量: 629.75
注文可能
グレード&純度 ≥98%(HPLC)
Synonyms
2-[[[2-[[3-(Ethylsulfonyl)-4-(4-methyl-1-piperazinyl)phenyl]amino]-5-fluoro-4-pyrimidinyl][5-(hydroxymethyl)-2-methylphenyl]amino]methyl]benzonitrile
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
サイズ
USA
ドイツ (EU)*
価格
個数
5mg
A288808-5mg
3 在庫あり
—
$119.90
10mg
A288808-10mg
2 在庫あり
—
$153.90
25mg
A288808-25mg
2 在庫あり
—
$339.90
50mg
A288808-50mg
2 在庫あり
—
$599.90
100mg
A288808-100mg
2 在庫あり
—
$959.90
Enter a quantity for the sizes you want to add.
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このグレードを選ぶ理由

≥98%(HPLC) ベースライン干渉を最小限に抑える必要がある、感度の高いクロマトグラフィーおよび分析ワークフロー向け。

🌡

保管・配送

Store at -20°C Ice chest + Ice pads に出荷。正確な仕様については、ロット固有の COA をご確認ください。

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品質書類

SDS、COA、データシート、仕様書をダウンロードできます。ロット固有の COA はロット番号検索で入手可能です。

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文献的裏付け

クロマトグラフィー、有機合成、クロスカップリング反応に関する 0 件の査読済み論文で引用されています。

概要

Product Describtion:

AZ13705339 is a highly potent and selective PAK1 inhibitor with IC50s of 0.33 nM and 59 nM for PAK1 and pPAK1, respectively. AZ13705339 has binding affinities to PAK1 and PAK2, with Kds of 0.28 nM and 0.32 nM, respectively. AZ13705339 can be used in the research of cancers.

仕様

同義語
2-[[[2-[[3-(Ethylsulfonyl)-4-(4-methyl-1-piperazinyl)phenyl]amino]-5-fluoro-4-pyrimidinyl][5-(hydroxymethyl)-2-methylphenyl]amino]methyl]benzonitrile
仕様と純度
≥98%(HPLC)
生化学的・生理学的メカニズム
Highly potent PAK1 and PAK2 inhibitor (IC50values are 0.33 and 6 nM for PAK1 and PAK2, respectively). Displays >7500-fold selectivity for PAK1 over PAK4 (IC50= 2.6 μM).
保管条件
Store at -20°C
入荷
Ice chest + Ice pads
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
純度
≥98%(HPLC)
名前と識別子
パブケム・シド
カノニカル・スマイル
CCS(=O)(=O)C1=C(C=CC(=C1)NC2=NC=C(C(=N2)N(CC3=CC=CC=C3C#N)C4=C(C=CC(=C4)CO)C)F)N5CCN(CC5)C
IUPAC Name
2-[[N-[2-[3-ethylsulfonyl-4-(4-methylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-(hydroxymethyl)-2-methylanilino]methyl]benzonitrile
InChIKey
WPFLVPJXKWCRQK-UHFFFAOYSA-N
INCHI
1S/C33H36FN7O3S/c1-4-45(43,44)31-18-27(11-12-29(31)40-15-13-39(3)14-16-40)37-33-36-20-28(34)32(38-33)41(21-26-8-6-5-7-25(26)19-35)30-17-24(22-42)10-9-23(30)2/h5-12,17-18,20,42H,4,13-16,21-22H2,1-3H3,(H,36,37,38)
異性体SMILES
CCS(=O)(=O)C1=C(C=CC(=C1)NC2=NC=C(C(=N2)N(CC3=CC=CC=C3C#N)C4=C(C=CC(=C4)CO)C)F)N5CCN(CC5)C
分子量
629.75
Reaxy-Rn
30500023
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30500023&ln=

ドキュメント

📋 安全データシート(SDS)

危険性、取扱い、保管、および規制遵守を網羅した包括的な文書。

<<<<<<< HEAD SDS をダウンロード → ======= SDS をダウンロード → >>>>>>> release248-p3

✅ 分析証明書(COA)

ロット固有の品質データ。ロット番号を入力して、正確な COA を取得してください。

COA を検索 →

📊 データシート

製品仕様と用途のクイックリファレンス概要。

データシートを見る →

🔬 仕様書

このグレードの完全な品質特性と合格基準。

仕様書を見る →

詳細データ

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
分類Diazinanes
SubclassPiperazines
Intermediate Tree Nodes Not available
Direct ParentPhenylpiperazines
Alternative Parents N-arylpiperazines  Alkyldiarylamines  Benzenesulfonyl compounds  Dialkylarylamines  Benzylamines  Benzyl alcohols  Benzonitriles  Aniline and substituted anilines  Toluenes  N-methylpiperazines  Halopyrimidines  Aminopyrimidines and derivatives  Imidolactams  Aryl fluorides  Sulfones  Heteroaromatic compounds  Trialkylamines  Secondary amines  Nitriles  Azacyclic compounds  Primary alcohols  Organopnictogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Aromatic alcohols  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Alkyldiarylamine - N-arylpiperazine - Phenylpiperazine - Benzenesulfonyl group - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Benzylamine - Benzyl alcohol - Benzonitrile - N-alkylpiperazine - N-methylpiperazine - Toluene - Halopyrimidine - Aminopyrimidine - Imidolactam - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Heteroaromatic compound - Sulfonyl - Sulfone - Tertiary aliphatic amine - Tertiary amine - Azacycle - Secondary amine - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alcohol - Aromatic heteromonocyclic compound
説明This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
External Descriptors Not available
3 D構造
インタラクティブ化学構造モデル





関連ターゲット(人間)
YES1 Tclin Tyrosine-protein kinase Yes (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PAK1 Tchem Serine/threonine-protein kinase PAK 1 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PAK2 Tchem Serine/threonine-protein kinase PAK 2 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PRKCQ Tchem Protein kinase C theta type (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRA1B Tclin Alpha-1b adrenergic receptor (2912 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DRD3 Tclin Dopamine D3 receptor (14368 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC6A3 Tclin Dopamine transporter (10535 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRM5 Tclin Muscarinic acetylcholine receptor M5 (4677 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRA2C Tclin Alpha-2c adrenergic receptor (4876 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LCK Tclin Tyrosine-protein kinase LCK (9212 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SRC Tclin Tyrosine-protein kinase SRC (10310 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FYN Tclin Tyrosine-protein kinase FYN (5308 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LYN Tclin Tyrosine-protein kinase Lyn (4251 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PRKCQ Tchem Protein kinase C theta (3319 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
YES1 Tclin Tyrosine-protein kinase YES (2781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PAK1 Tchem Serine/threonine-protein kinase PAK 1 (2601 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
作用メカニズム
証明書(CoA、COO、BSE/TSEと分析図)
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 Type日付商品
H2303135H2303135Certificate of AnalysisJul 18, 2023 A288808
H2303145H2303145Certificate of AnalysisJul 18, 2023 A288808
H2303154H2303154Certificate of AnalysisJul 18, 2023 A288808
H2303157H2303157Certificate of AnalysisJul 18, 2023 A288808
H2303160H2303160Certificate of AnalysisJul 18, 2023 A288808
化学的性質と物理的性質
溶解度Solvent:DMSO, Max Conc. mg/mL: 62.98, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 12.6, Max Conc. mM: 20 with gentle warming
分子量629.700 g/mol
XLogP34.400
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Exact Mass629.258 Da
Monoisotopic Mass629.258 Da
Topological Polar Surface Area134.000 Ų
Heavy Atom Count45
Formal Charge0
Complexity1090.000
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
ソリューション計算機
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