MK-8776 - Moligand™ , Inhibitor of checkpoint kinase 1;Inhibitor of cyclin dependent kinase 2, CAS No.891495-88-8, Inhibitor of checkpoint kinase 1;Inhibitor of cyclin dependent kinase 2

CAS: 891495-88-8 Cat. No.: M611927 Numéro CE: 686-168-1 PubChem CID: 16224745
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
MK 8776;SCH 900776
Storage
Room temperature
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Size
Allemagne (EU)
USA*
Price
Qty
5mg
M611927-5mg
Sur commande · 8–12 semaines
1 128,84€
25mg
M611927-25mg
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
MK 8776;SCH 900776
Spécifications et pureté
Moligand™
Conditions de stockage de stockage
Room temperature
Grade
Moligand™
Type d'action
INHIBITOR
Mécanisme d'action
Inhibitor of checkpoint kinase 1;Inhibitor of cyclin dependent kinase 2
Noms et identifiants
Sourires canoniquesCn1ncc(c1)c1cnn2c1nc(C1CCCNC1)c(c2N)Br
IUPAC Name6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[5,1-b]pyrimidin-7-amine
InChIKeyGMIZZEXBPRLVIV-UHFFFAOYSA-N
INCHI1S/C15H18BrN7/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9/h6-9,18H,2-5,17H2,1H3
Isomères SMILES CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)C4CCCNC4
PubChem CID 16224745

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
ClassePyrazolopyrimidines
SubclassPyrazolo[1,5-a]pyrimidines
Intermediate Tree Nodes Not available
Direct ParentPyrazolo[1,5-a]pyrimidines
Alternative Parents Halopyrimidines  Aralkylamines  Aminopyrimidines and derivatives  Piperidines  Aryl bromides  Pyrazoles  Heteroaromatic compounds  Dialkylamines  Azacyclic compounds  Primary amines  Organopnictogen compounds  Organobromides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Pyrazolo[1,5-a]pyrimidine - Aminopyrimidine - Halopyrimidine - Aralkylamine - Aryl bromide - Aryl halide - Piperidine - Pyrimidine - Pyrazole - Azole - Heteroaromatic compound - Secondary aliphatic amine - Secondary amine - Azacycle - Amine - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as pyrazolo[1,5-a]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to and sharing exactly one nitrogen atom with a pyrimidine ring.
External Descriptors Not available
Structure 3D
Modèle de structure chimique interactif





Cibles associées (humaines)
CDK2 Tchem Cyclin-dependent kinase 2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CHEK1 Tchem Serine/threonine-protein kinase Chk1 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CHEK1 Tchem Serine/threonine-protein kinase Chk1 (6846 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 moléculaire376.250 g/mol
XLogP30.800
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass375.081 Da
Monoisotopic Mass375.081 Da
Topological Polar Surface Area86.100 Ų
Heavy Atom Count23
Formal Charge0
Complexity425.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
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 891495-88-8. InChIKey GMIZZEXBPRLVIV-UHFFFAOYSA-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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