AZD4017 - Moligand™, ≥98% , 11-beta-hydroxysteroid dehydrogenase 1 inhibitor, CAS No.1024033-43-9, 11-beta-hydroxysteroid dehydrogenase 1 inhibitor

CAS: 1024033-43-9 Cat. No.: A607866 Summenformel: C22H33N3O3S Molekulargewicht: 419.58 EG-Nummer: 682-452-4
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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%
Synonyms
C22H33N3O3S | SMR000466320 | 2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]piperidin-3-yl]acetic acid | 3-PIPERIDINEACETIC ACID, 1-(5-((CYCLOHEXYLAMINO)CARBONYL)-6-(PROPYLTHIO)-2-PYRIDINYL)-, (3S)- | Propyphenazone,(S) | HY-18053 | DTXSI
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
Deutschland (EU)
USA*
Price
Qty
1mg
A607866-1mg
Auf Bestellung · 8–12 Wochen
51,98€
5mg
A607866-5mg
Auf Bestellung · 8–12 Wochen
138,75€
10mg
A607866-10mg
Auf Bestellung · 8–12 Wochen
234,20€
25mg
A607866-25mg
Auf Bestellung · 8–12 Wochen
459,81€
50mg
A607866-50mg
Auf Bestellung · 8–12 Wochen
642,04€
100mg
A607866-100mg
Auf Bestellung · 8–12 Wochen
902,36€
Enter a quantity for the sizes you want to add.
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Why this grade

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

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads 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.

Übersicht

AZD 4017 is a potent, selective 11β-Hydroxysteroid Dehydrogenase Type 1 (11β-HSD1) inhibitor, with an IC50 of 7 nM

Specifications

Synonyme
C22H33N3O3S | SMR000466320 | 2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]piperidin-3-yl]acetic acid | 3-PIPERIDINEACETIC ACID, 1-(5-((CYCLOHEXYLAMINO)CARBONYL)-6-(PROPYLTHIO)-2-PYRIDINYL)-, (3S)- | Propyphenazone,(S) | HY-18053 | DTXSI
Spezifikationen & Reinheit
Moligand™, ≥98%
Storage
Store at -20°C
Verschickt in
Ice chest + Ice pads
Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.
Note
Moligand™
Aktionsart
INHIBITOR
Mechanismus der Wirkung
11-beta-hydroxysteroid dehydrogenase 1 inhibitor
Reinheit
≥98%
Produkteigenschaften
ALogP4.4
Namen und Kennungen
Kanonisches LächelnCCCSC1=C(C=CC(=N1)N2CCCC(C2)CC(=O)O)C(=O)NC3CCCCC3
IUPAC Name2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]piperidin-3-yl]acetic acid
InChIKeyNCDZABJPWMBMIQ-INIZCTEOSA-N
INCHI1S/C22H33N3O3S/c1-2-13-29-22-18(21(28)23-17-8-4-3-5-9-17)10-11-19(24-22)25-12-6-7-16(15-25)14-20(26)27/h10-11,16-17H,2-9,12-15H2,1H3,(H,23,28)(H,26,27)/t16-/m0/s1
Isomere SMILES CCCSC1=C(C=CC(=N1)N2CCC[C@H](C2)CC(=O)O)C(=O)NC3CCCCC3
Molekulargewicht 419.58

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
KlassePyridines and derivatives
SubclassPyridinecarboxylic acids and derivatives
Intermediate Tree Nodes Pyridinecarboxamides
Direct ParentNicotinamides
Alternative Parents Dialkylarylamines  Aminopyridines and derivatives  Alkylarylthioethers  Vinylogous thioesters  Piperidines  Imidolactams  Heteroaromatic compounds  Secondary carboxylic acid amides  Sulfenyl compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Azacyclic compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Nicotinamide - Aryl thioether - Dialkylarylamine - Aminopyridine - Alkylarylthioether - Piperidine - Imidolactam - Vinylogous thioester - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Carbonyl group - Hydrocarbon derivative - Aromatic heteromonocyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as nicotinamides. These are heterocyclic aromatic compounds containing a pyridine ring substituted at position 3 by a carboxamide group.
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (menschlich)
HSD11B1 Tclin Corticosteroid 11-beta-dehydrogenase isozyme 1 (8 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
NR3C1 Tclin Glucocorticoid receptor (14987 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR3C2 Tclin Mineralocorticoid receptor (2134 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSD17B3 Tchem Estradiol 17-beta-dehydrogenase 3 (821 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSD17B1 Tchem Estradiol 17-beta-dehydrogenase 1 (2224 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCKBR Tclin Cholecystokinin B receptor (3550 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Zugehörige Ziele (nicht menschlich)
Agtr2 Angiotensin II type 2 (AT-2) receptor (803 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hsd11b1 11-beta-hydroxysteroid dehydrogenase 1 (202 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hsd11b2 11-beta-hydroxysteroid dehydrogenase 2 (82 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Salmonella typhimurium (15756 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cavia porcellus (23802 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Canis familiaris (36305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
L5178Y (1809 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDCK (10148 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSD11B1 11-beta-hydroxysteroid dehydrogenase type 1 (4 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasma (328 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemische und physikalische Eigenschaften
Molekulargewicht419.600 g/mol
XLogP34.400
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass419.224 Da
Monoisotopic Mass419.224 Da
Topological Polar Surface Area108.000 Ų
Heavy Atom Count29
Formal Charge0
Complexity541.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Lösungsrechner
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