INCB13739 - Moligand™ , Inhibitor of hydroxysteroid 11-beta dehydrogenase 1, CAS No.I611054, Inhibitor of hydroxysteroid 11-beta dehydrogenase 1

CAS: I611054 Cat. No.: I611054 PubChem CID: 66662059
DISPONIBLE À COMMANDE
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.
Synonyms
160R8ZBH0X | HY-150701 | SCHEMBL349887 | EX-A6550 | GTPL12121 | BDBM50595161 | 2-Pyridinecarboxamide, N-methyl-5-(4-(1-(((1R)-3-oxospiro(isobenzofuran-1(3H),3'-pyrrolidin)-1'-yl)carbonyl)cyclopropyl)phenyl)- | INCB13739 | INCB-13739 | N-methyl-5-[4-[1-[(1
Storage
Room temperature
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Size
Allemagne (EU)
USA*
Price
Qty
5mg
I611054-5mg
Sur commande · 8–12 semaines

991,74€

1 158,34€
Enregistrer 166,61 € (14.38%)
25mg
I611054-25mg
Sur commande · 8–12 semaines

1 488,09€

1 736,26€
Enregistrer 248,17 € (14.29%)
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships 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.

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Literature proof

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

Specifications

Synonymes
160R8ZBH0X | HY-150701 | SCHEMBL349887 | EX-A6550 | GTPL12121 | BDBM50595161 | 2-Pyridinecarboxamide, N-methyl-5-(4-(1-(((1R)-3-oxospiro(isobenzofuran-1(3H),3'-pyrrolidin)-1'-yl)carbonyl)cyclopropyl)phenyl)- | INCB13739 | INCB-13739 | N-methyl-5-[4-[1-[(1
Spécifications et pureté
Moligand™
Conditions de stockage de stockage
Room temperature
Grade
Moligand™
Type d'action
INHIBITOR
Mécanisme d'action
Inhibitor of hydroxysteroid 11-beta dehydrogenase 1
Noms et identifiants
Sourires canoniques
N(C)C(=O)c1ccc(cn1)c1ccc(cc1)C1(CC1)C(=O)N1CC[C@@]2(C1)OC(=O)c1c2cccc1
IUPAC Name
N-methyl-5-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]pyridine-2-carboxamide
InChIKey
BDQCDIWFPIDPQU-NDEPHWFRSA-N
INCHI
1S/C28H25N3O4/c1-29-24(32)23-11-8-19(16-30-23)18-6-9-20(10-7-18)27(12-13-27)26(34)31-15-14-28(17-31)22-5-3-2-4-21(22)25(33)35-28/h2-11,16H,12-15,17H2,1H3,(H,29,32)/t28-/m0/s1
Isomères SMILES
CNC(=O)C1=NC=C(C=C1)C2=CC=C(C=C2)C3(CC3)C(=O)N4CC[C@]5(C4)C6=CC=CC=C6C(=O)O5
PubChem CID
66662059

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
ClassePyridines and derivatives
SubclassPhenylpyridines
Intermediate Tree Nodes Not available
Direct ParentPhenylpyridines
Alternative Parents Phthalides  Phenylacetamides  Benzofuranones  Pyridinecarboxamides  Isobenzofurans  2-heteroaryl carboxamides  N-acylpyrrolidines  Cyclopropanecarboxylic acids and derivatives  Tertiary carboxylic acid amides  Heteroaromatic compounds  Secondary carboxylic acid amides  Carboxylic acid esters  Lactones  Azacyclic compounds  Oxacyclic compounds  Organonitrogen compounds  Carbonyl compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 3-phenylpyridine - Phenylacetamide - Phthalide - Benzofuranone - Isobenzofuranone - Pyridine carboxylic acid or derivatives - Pyridinecarboxamide - Isobenzofuran - Isocoumaran - 2-heteroaryl carboxamide - N-acylpyrrolidine - Cyclopropanecarboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactone - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
External Descriptors Not available
Structure 3D
Modèle de structure chimique interactif





Cibles associées (humaines)
HSD11B1 Tclin Corticosteroid 11-beta-dehydrogenase isozyme 1 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
NR1I2 Tchem Pregnane X receptor (6667 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cibles associées (non humaines)
Hsd11b1 11-beta-hydroxysteroid dehydrogenase 1 (202 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
Poids moléculaire467.500 g/mol
XLogP32.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass467.185 Da
Monoisotopic Mass467.185 Da
Topological Polar Surface Area88.600 Ų
Heavy Atom Count35
Formal Charge0
Complexity864.000
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
Calculateurs de solution
Avis

Avis des clients

Foire aux questions

What is Moligand??
Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.
How should this product be stored?
Store at room temperature.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is I611054. InChIKey BDQCDIWFPIDPQU-NDEPHWFRSA-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.

Need help choosing the grade?

Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.

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