YF-476 - Moligand™ , Cholecystokinin B receptor antagonist, CAS No.155488-25-8, Cholecystokinin B receptor antagonist

CAS: 155488-25-8 Cat. No.: Y614910 Summenformel: C28H30N6O3 Molekulargewicht: 498.6 PubChem CID: 9870520
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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.
Synonyms
UNII-HOU4I0G29C | PDSP2_000881 | SCHEMBL1387611 | HOU4I0G29C | netazepide | DB12355 | 1-[(R)-1-(3,3-Dimethyl-2-oxo-butyl)-2-oxo-5-pyridin-2-yl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-3-(3-methylamino-phenyl)-urea | GTPL887 | Q2297773 | diethylaminosulf
Storage
Room temperature
★
Size
Deutschland (EU)
USA*
Price
Qty
5mg
Y614910-5mg
Auf Bestellung · 8–12 Wochen

620,35€

1.158,34€
Speichern 538,00 € (46.45%)
25mg
Y614910-25mg
Auf Bestellung · 8–12 Wochen

1.488,09€

1.737,13€
Speichern 249,04 € (14.34%)
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

Synonyme
UNII-HOU4I0G29C | PDSP2_000881 | SCHEMBL1387611 | HOU4I0G29C | netazepide | DB12355 | 1-[(R)-1-(3,3-Dimethyl-2-oxo-butyl)-2-oxo-5-pyridin-2-yl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-3-(3-methylamino-phenyl)-urea | GTPL887 | Q2297773 | diethylaminosulf
Spezifikationen & Reinheit
Moligand™
Storage
Room temperature
Note
Moligand™
Aktionsart
ANTAGONIST
Mechanismus der Wirkung
Cholecystokinin B receptor antagonist
Produkteigenschaften
ALogP3.8
Namen und Kennungen
Kanonisches LächelnCC(C)(C)C(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)NC)C4=CC=CC=N4
IUPAC Name1-[(3R)-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]-3-[3-(methylamino)phenyl]urea
InChIKeyYDZYKNJZCVIKPP-VWLOTQADSA-N
INCHI1S/C28H30N6O3/c1-28(2,3)23(35)17-34-22-14-6-5-12-20(22)24(21-13-7-8-15-30-21)32-25(26(34)36)33-27(37)31-19-11-9-10-18(16-19)29-4/h5-16,25,29H,17H2,1-4H3,(H2,31,33,37)/t25-/m0/s1
Isomere SMILES CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=N[C@H](C1=O)NC(=O)NC3=CC=CC(=C3)NC)C4=CC=CC=N4
Alternative CAS-Nummer 155488-25-8
PubChem CID 9870520
MeSH-Eintrag N-(1-(tert-butylcarbonylmethyl)-2,3-dihydro-2-oxo-5-(2-pyridyl)-1H-1,4-benzodiazepin-3-yl)-N'-(3-(methylamino)phenyl)urea;netazepide;YF 476;YF-476;YF476
Molekulargewicht 498.6

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
KlasseBenzodiazepines
Subclass1,4-benzodiazepines
Intermediate Tree Nodes Not available
Direct Parent1,4-benzodiazepines
Alternative Parents Alpha amino acids and derivatives  N-phenylureas  Aniline and substituted anilines  Phenylalkylamines  Secondary alkylarylamines  Pyridines and derivatives  Heteroaromatic compounds  Tertiary carboxylic acid amides  Ureas  Lactams  Ketones  Ketimines  Azacyclic compounds  Propargyl-type 1,3-dipolar organic compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 1,4-benzodiazepine - Alpha-amino acid or derivatives - N-phenylurea - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Ketimine - Ketone - Lactam - Urea - Azacycle - Carboxylic acid derivative - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Imine - Amine - Organic oxide - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (menschlich)
CCKAR Tclin Cholecystokinin receptor type A (4 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CCKBR Tclin Gastrin/cholecystokinin type B receptor (5 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CCKBR Tclin Cholecystokinin B receptor (3550 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCKBR Tclin Cholecystokinin receptor (506 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Zugehörige Ziele (nicht menschlich)
Cckar Cholecystokinin A receptor (90 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Canis familiaris (36305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 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
Molekulargewicht498.600 g/mol
XLogP33.800
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass498.238 Da
Monoisotopic Mass498.238 Da
Topological Polar Surface Area116.000 Ų
Heavy Atom Count37
Formal Charge0
Complexity868.000
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
Bewertungen

Kundenbewertungen

Häufig gestellte Fragen

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 155488-25-8, the molecular formula is C28H30N6O3, and the molecular weight is 498.6 g/mol. InChIKey YDZYKNJZCVIKPP-VWLOTQADSA-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.

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