CCT251455 - ≥98% , CAS No.1400284-80-1

CAS: 1400284-80-1 Cat. No.: C647294 Summenformel: C26H26ClN7O2 Molekulargewicht: 503.98 PubChem CID: 66547425
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GRADE & PURITY ≥98%
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
Size
Deutschland (EU)
USA*
Price
Qty
5mg
C647294-5mg
Auf Bestellung · 8–12 Wochen
868,52€
10mg
C647294-10mg
Auf Bestellung · 8–12 Wochen
1.475,94€
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Why this grade

≥98% 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.

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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.

Übersicht

CCT251455 is a potent and selective mitotic kinase monopolar spindle 1 ( MPS1 ) inhibitor with an IC 50 of 3 nM.

In Vitro

CCT251455 is a highly potent inhibitor of MPS1 that demonstrates high selectivity versus kinases tested in a broad kinome profiling panel. CCT251455 inhibits P-MPS1 with an IC 50 of 0.04 μM in cell-based assay and has a GI 50 of 0.16 μM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

CCT251455 demonstrates a good oral pharmacokinetic profile in mouse and rat as well as inhibition of MPS1 activity in vivo following oral administration . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:IC50: 3 nM (MPS1)

Specifications

Spezifikationen & Reinheit
≥98%
Biochemische und physiologische Mechanismen
CCT251455 is a potent and selective mitotic kinase monopolar spindle 1 ( MPS1 ) inhibitor with an IC 50 of 3 nM.
Storage
Store at -20°C
Verschickt in
Ice chest + Ice pads
Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.
Aktionsart
INHIBITOR
Reinheit
≥98%
Namen und Kennungen
Kanonisches LächelnCC(C)(C)OC(=O)N1C(=CC2=CN=C(C=C21)NC3=C(C=C(C=C3)C4=CN=CN4C)Cl)C5=CN(N=C5)C
IUPAC Nametert-butyl 6-[2-chloro-4-(3-methylimidazol-4-yl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate
InChIKeyBXKNUXDLZJPPBO-UHFFFAOYSA-N
INCHI1S/C26H26ClN7O2/c1-26(2,3)36-25(35)34-21(18-12-30-33(5)14-18)9-17-11-29-24(10-22(17)34)31-20-7-6-16(8-19(20)27)23-13-28-15-32(23)4/h6-15H,1-5H3,(H,29,31)
Isomere SMILES CC(C)(C)OC(=O)N1C(=CC2=CN=C(C=C21)NC3=C(C=C(C=C3)C4=CN=CN4C)Cl)C5=CN(N=C5)C
PubChem CID 66547425
MeSH-Eintrag CCT251455;tert-butyl 6-(2-chloro-4-(1-methyl-1H-imidazol-5-yl)phenylamino)-2-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo(3,2-c)pyridine-1-carboxylate
Molekulargewicht 503.98

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
KlasseAzoles
SubclassImidazoles
Intermediate Tree Nodes Substituted imidazoles
Direct ParentPhenylimidazoles
Alternative Parents Pyrrolopyridines  Aniline and substituted anilines  Pyrrole carboxylic acids and derivatives  Imidazolyl carboxylic acids and derivatives  Aminopyridines and derivatives  Chlorobenzenes  Substituted pyrroles  Aryl chlorides  Imidolactams  N-substituted imidazoles  Heteroaromatic compounds  Pyrazoles  Secondary amines  Azacyclic compounds  Organooxygen compounds  Hydrocarbon derivatives  Organic oxides  Organochlorides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 5-phenylimidazole - 4-phenylimidazole - Pyrrolopyridine - Imidazolyl carboxylic acid derivative - Aniline or substituted anilines - Pyrrole-1-carboxylic acid or derivatives - Aminopyridine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Pyridine - Imidolactam - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrazole - Pyrrole - Azacycle - Secondary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (menschlich)
TTK Tchem Dual specificity protein kinase TTK (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CYP2D6 Tclin Cytochrome P450 2D6 (33882 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
AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TTK Tchem Dual specificity protein kinase TTK (2978 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Caco-2 (12174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCT-116 (91556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Zugehörige Ziele (nicht menschlich)
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Liver microsome (341 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
LöslichkeitDMSO : 100 mg/mL (198.42 mM; Need ultrasonic)
Molekulargewicht504.000 g/mol
XLogP34.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass503.184 Da
Monoisotopic Mass503.184 Da
Topological Polar Surface Area91.800 Ų
Heavy Atom Count36
Formal Charge0
Complexity782.000
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
Lösungsrechner
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