tilpisertib - Moligand™ , Mitogen-activated protein kinase kinase kinase 8 inhibitor, CAS No.2065153-41-3, Mitogen-activated protein kinase kinase kinase 8 inhibitor

CAS: 2065153-41-3 Cat. No.: T614452 분자식: C₃₃H₃₃ClN₈O 분자량: 593.1 EC 번호: 876-088-7 PubChem CID: 124181541

GRADE & PURITY Moligand™

Synonyms

EX-A7846 | GLXC-26915 | 2065153-41-3 | A8Y5K4G762 | 3-Quinolinecarbonitrile, 6-(((S)-(1-bicyclo(1.1.1)pent-1-yl-1H-1,2,3-triazol-4-yl)(1,2-dihydro-2-methyl-1-oxo-5-isoquinolinyl)methyl)amino)-8-chloro-4-((2,2-dimethylpropyl)amino)- | SCHEMBL18369204 | GS-

Storage

Room temperature

Specifications

동의어

EX-A7846 | GLXC-26915 | 2065153-41-3 | A8Y5K4G762 | 3-Quinolinecarbonitrile, 6-(((S)-(1-bicyclo(1.1.1)pent-1-yl-1H-1,2,3-triazol-4-yl)(1,2-dihydro-2-methyl-1-oxo-5-isoquinolinyl)methyl)amino)-8-chloro-4-((2,2-dimethylpropyl)amino)- | SCHEMBL18369204 | GS-

사양 및 순도

Moligand™

보관 조건

Room temperature

등급

Moligand™

작업 유형

INHIBITOR

작동 메커니즘

Mitogen-activated protein kinase kinase kinase 8 inhibitor

제품 특성

• ALogP: 6

이름과 식별자

• 정식 스마일: CC(C)(C)CNc1c2cc(cc(c2ncc1C#N)Cl)N[C@@H](c1cccc2c1ccn(c2=O)C)c1cn(nn1)C12CC(C1)C2
• IUPAC Name: 6-[[(S)-[1-(1-bicyclo[1.1.1]pentanyl)triazol-4-yl]-(2-methyl-1-oxoisoquinolin-5-yl)methyl]amino]-8-chloro-4-(2,2-dimethylpropylamino)quinoline-3-carbonitrile
• InChIKey: VFGSKBLZRDRHOI-ZAGPDIDGSA-N
• INCHI: 1S/C33H33ClN8O/c1-32(2,3)18-37-28-20(15-35)16-36-29-25(28)10-21(11-26(29)34)38-30(27-17-42(40-39-27)33-12-19(13-33)14-33)23-6-5-7-24-22(23)8-9-41(4)31(24)43/h5-11,16-17,19,30,38H,12-14,18H2,1-4H3,(H,36,37)/t19?,30-,33?/m0/s1
• 이성체 SMILES: CC(C)(C)CNC1=C2C=C(C=C(C2=NC=C1C#N)Cl)N[C@@H](C3=CC=CC4=C3C=CN(C4=O)C)C5=CN(N=N5)C67CC(C6)C7
• PubChem CID: 124181541
• 분자량: 593.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Isoquinolines and derivatives
      • Subclass Isoquinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Isoquinolines and derivatives
• Subclass: Isoquinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoquinolones and derivatives
• Alternative Parents: Haloquinolines Polyhalopyridines Secondary alkylarylamines Methylpyridines Benzenoids Triazoles Heteroaromatic compounds Lactams Nitriles Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Haloquinoline - Isoquinolone - Quinoline - Polyhalopyridine - Methylpyridine - Secondary aliphatic/aromatic amine - Benzenoid - Pyridine - Heteroaromatic compound - 1,2,3-triazole - Azole - Lactam - Azacycle - Secondary amine - Nitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.
• External Descriptors: Not available

Data sources

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

자주 묻는 질문

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 2065153-41-3, the molecular formula is C33H33ClN8O, and the molecular weight is 593.1 g/mol. InChIKey VFGSKBLZRDRHOI-ZAGPDIDGSA-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.