AX 15836 - Moligand™, ≥98%(HPLC) , Inhibitor of mitogen-activated protein kinase 7, CAS No.2035509-96-5, Inhibitor of mitogen-activated protein kinase 7

CAS: 2035509-96-5 Cat. No.: A287667 分子式: C32H40N8O5S 分子量: 648.78
注文可能
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%(HPLC)
Synonyms
AX-15836 | 2-[2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5-methyl-11-methylsulfonylpyrimido[4,5-b][1,4]benzodiazepin-6-one
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
USA
ドイツ (EU)*
Price
Qty
2mg
A287667-2mg
受注生産 · 8~12週間

$129.90

$194.90
保存 $65.00 (33.35%)
5mg
A287667-5mg
受注生産 · 8~12週間

$225.90

$338.90
保存 $113.00 (33.34%)
10mg
A287667-10mg
受注生産 · 8~12週間

$332.90

$499.90
保存 $167.00 (33.41%)
25mg
A287667-25mg
受注生産 · 8~12週間

$689.90

$1,034.90
保存 $345.00 (33.34%)
50mg
A287667-50mg
受注生産 · 8~12週間

$1,163.90

$1,745.90
保存 $582.00 (33.34%)
100mg
A287667-100mg
受注生産 · 8~12週間

$2,095.90

$3,143.90
保存 $1,048.00 (33.33%)
Enter a quantity for the sizes you want to add.
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Why this grade

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

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Storage & shipping

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.

📚

Literature proof

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

Specifications

同義語
AX-15836 | 2-[2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5-methyl-11-methylsulfonylpyrimido[4,5-b][1,4]benzodiazepin-6-one
仕様と純度
Moligand™, ≥98%(HPLC)
生化学的・生理学的メカニズム
Potent and selective ERK5 inhibitor (IC50= 8 nM). Exhibits >1,000-fold selectivity for ERK5 over a panel of over 200 kinases. Also exhibits selectivity over bromodomain BRD4 (Kd= 3,600 nM). Increases vomocytosis in human macrophagesin vitro, as well as i
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。
等級
Moligand™
アクションタイプ
INHIBITOR
作用メカニズム
Inhibitor of mitogen-activated protein kinase 7
純度
≥98%(HPLC)
名前と識別子
カノニカル・スマイル
CCOC1=C(C=CC(=C1)C(=O)N2CCC(CC2)N3CCN(CC3)C)NC4=NC=C5C(=N4)N(C6=CC=CC=C6C(=O)N5C)S(=O)(=O)C
IUPAC Name
2-[2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5-methyl-11-methylsulfonylpyrimido[4,5-b][1,4]benzodiazepin-6-one
InChIKey
HTFNVAVTYILUCF-UHFFFAOYSA-N
INCHI
1S/C32H40N8O5S/c1-5-45-28-20-22(30(41)39-14-12-23(13-15-39)38-18-16-36(2)17-19-38)10-11-25(28)34-32-33-21-27-29(35-32)40(46(4,43)44)26-9-7-6-8-24(26)31(42)37(27)3/h6-11,20-21,23H,5,12-19H2,1-4H3,(H,33,34,35)
異性体SMILES
CCOC1=C(C=CC(=C1)C(=O)N2CCC(CC2)N3CCN(CC3)C)NC4=NC=C5C(=N4)N(C6=CC=CC=C6C(=O)N5C)S(=O)(=O)C
分子量
648.78
Reaxy-Rn
30843028
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30843028&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
SuperclassBenzenoids
分類Benzene and substituted derivatives
SubclassBenzoyl derivatives
Intermediate Tree Nodes Not available
Direct Parent1-benzoylpiperidines
Alternative Parents N-benzoylpiperidines  Guanidinobenzoic acids and derivatives  Pyrimidodiazepines  1,4-benzodiazepines  Sulfanilides  Benzamides  Phenoxy compounds  Phenol ethers  N-methylpiperazines  Aminopiperidines  Alkyl aryl ethers  1,4-diazepines  Pyrimidines and pyrimidine derivatives  N-acyl amines  Imidolactams  Vinylogous amides  Tertiary carboxylic acid amides  Sulfonyls  Organosulfonic acids and derivatives  Heteroaromatic compounds  Trialkylamines  Lactams  Amino acids and derivatives  Secondary amines  Azacyclic compounds  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 1-benzoylpiperidine - N-benzoylpiperidine - Guanidinobenzoic acid or derivatives - 1,4-benzodiazepine - Pyrimidodiazepine - Benzodiazepine - Sulfanilide - N-acyl-piperidine - Benzoic acid or derivatives - Benzamide - Phenoxy compound - Phenol ether - N-alkylpiperazine - N-methylpiperazine - 4-aminopiperidine - Alkyl aryl ether - Para-diazepine - Imidolactam - Pyrimidine - Piperidine - Piperazine - N-acyl-amine - 1,4-diazinane - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Lactam - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
説明This compound belongs to the class of organic compounds known as 1-benzoylpiperidines. These are compounds containing a piperidine ring substituted at the 1-position with a benzoyl 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)
MAPK7 Tchem Mitogen-activated protein kinase 7 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
MAPK7 Tchem Mitogen-activated protein kinase 7 (929 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
関連ターゲット(非人間)
rep Replicase polyprotein 1ab (378 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:
化学的性質と物理的性質
溶解度Solvent:1eq. HCl, Max Conc. mg/mL: 64.88, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 64.88, Max Conc. mM: 100
分子量648.800 g/mol
XLogP32.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass648.284 Da
Monoisotopic Mass648.284 Da
Topological Polar Surface Area140.000 Ų
Heavy Atom Count46
Formal Charge0
Complexity1170.000
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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