Name: CCT251455 - ≥98% , CAS No.1400284-80-1
SKU: C647294
Availability: InStock

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

CAS: 1400284-80-1 Cat. No.: C647294 分子式: C₂₆H₂₆ClN₇O₂ 分子量: 503.98 PubChem CID: 66547425

概要 Specifications 名前と識別子 Documentation Advanced Data Taxonomic Classification 3 D構造関連ターゲット（人間）関連ターゲット（非人間）作用メカニズム証明書（CoA、COO、BSE/TSEと分析図）化学的性質と物理的性質ソリューション計算機レビュー

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Why this grade

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

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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.

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Literature proof

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

概要

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

仕様と純度

≥98%

生化学的・生理学的メカニズム

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

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

純度

≥98%

名前と識別子

カノニカル・スマイル	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
IUPAC Name	tert-butyl 6-[2-chloro-4-(3-methylimidazol-4-yl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate
InChIKey	BXKNUXDLZJPPBO-UHFFFAOYSA-N
INCHI	1S/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)
異性体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用語	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
分子量	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

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - 分類 Azoles
    - Subclass Imidazoles
      - Level5 Substituted imidazoles
        Level6 Phenylimidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
分類	Azoles
Subclass	Imidazoles
Intermediate Tree Nodes	Substituted imidazoles
Direct Parent	Phenylimidazoles
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 Framework	Aromatic 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
説明	This 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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3 D構造

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レビュー

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溶解度	DMSO : 100 mg/mL (198.42 mM; Need ultrasonic)
分子量	504.000 g/mol
XLogP3	4.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	503.184 Da
Monoisotopic Mass	503.184 Da
Topological Polar Surface Area	91.800 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	782.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1