vevorisertib - Moligand™ , CAS No.1416775-46-6

CAS: 1416775-46-6 Cat. No.: V614741 PubChem CID: 71138858

GRADE & PURITY Moligand™

Synonyms

V6SX910Y31 | 1416775-46-6 | EX-A5803 | UNII-V6SX910Y31 | Vevorisertib | AKOS040756750 | GLXC-26917 | VEVORISERTIB [WHO-DD] | ARQ-751 | GTPL12613 | N-[1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-aminopyridin-3-yl)imidazo[4,5-b]pyridin-5-yl]phenyl]piperidin-

Storage

Room temperature

Specifications

동의어

V6SX910Y31 | 1416775-46-6 | EX-A5803 | UNII-V6SX910Y31 | Vevorisertib | AKOS040756750 | GLXC-26917 | VEVORISERTIB [WHO-DD] | ARQ-751 | GTPL12613 | N-[1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-aminopyridin-3-yl)imidazo[4,5-b]pyridin-5-yl]phenyl]piperidin-

사양 및 순도

Moligand™

보관 조건

Room temperature

등급

Moligand™

이름과 식별자

• 정식 스마일: CC(=O)N(C)C1CCN(CC1)C2=CC=CC(=C2)C3=NC4=C(C=C3)N=C(N4C5=CC=C(C=C5)C6(CCC6)N)C7=C(N=CC=C7)N
• IUPAC Name: N-[1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-aminopyridin-3-yl)imidazo[4,5-b]pyridin-5-yl]phenyl]piperidin-4-yl]-N-methylacetamide
• InChIKey: NZDSLYATTDIDPH-UHFFFAOYSA-N
• INCHI: 1S/C35H38N8O/c1-23(44)41(2)26-15-20-42(21-16-26)28-7-3-6-24(22-28)30-13-14-31-34(39-30)43(33(40-31)29-8-4-19-38-32(29)36)27-11-9-25(10-12-27)35(37)17-5-18-35/h3-4,6-14,19,22,26H,5,15-18,20-21,37H2,1-2H3,(H2,36,38)
• 이성체 SMILES: CC(=O)N(C)C1CCN(CC1)C2=CC=CC(=C2)C3=NC4=C(C=C3)N=C(N4C5=CC=C(C=C5)C6(CCC6)N)C7=C(N=CC=C7)N
• PubChem CID: 71138858

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Piperidines
      • Subclass Phenylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Phenylpyridines Phenylimidazoles Imidazopyridines Aniline and substituted anilines Dialkylarylamines Aminopyridines and derivatives Aralkylamines N-substituted imidazoles Imidolactams Heteroaromatic compounds Acetamides Tertiary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Monoalkylamines Carbonyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpiperidine - 2-phenylpyridine - 1-phenylimidazole - Imidazopyridine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aminopyridine - Aralkylamine - Imidolactam - Benzenoid - Pyridine - Monocyclic benzene moiety - N-substituted imidazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Acetamide - Azole - Imidazole - Amino acid or derivatives - Tertiary amine - Carboxamide group - Azacycle - Carboxylic acid derivative - Primary amine - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
• 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

관련 대상(인간)

AKT2 Tchem Serine/threonine-protein kinase AKT2 (4301 Activities)

Discover Target: AKT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AKT3 Tchem Serine/threonine-protein kinase AKT3 (3157 Activities)

Discover Target: AKT3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 분자량: 586.700 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 586.317 Da
• Monoisotopic Mass: 586.317 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 976.000
• 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

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 1416775-46-6. InChIKey NZDSLYATTDIDPH-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.