Azd-0424 - ≥98% , CAS No.692054-06-1

CAS: 692054-06-1 Cat. No.: A1273912 PubChem CID: 9893171

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

Specifications

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

작업 유형

ACTIVATOR

순수함

≥98%

이름과 식별자

정식 스마일

CC(C)OC1=CC(=CC2=C1C(=NC=N2)NC3=C4C(=NC=C3Cl)OCO4)OCCN5CCN(CC5)C(=O)C

IUPAC Name

1-[4-[2-[4-[(6-chloro-[1,3]dioxolo[4,5-b]pyridin-7-yl)amino]-5-propan-2-yloxyquinazolin-7-yl]oxyethyl]piperazin-1-yl]ethanone

InChIKey

MVWATCATLSSVBH-UHFFFAOYSA-N

INCHI

1S/C25H29ClN6O5/c1-15(2)37-20-11-17(34-9-8-31-4-6-32(7-5-31)16(3)33)10-19-21(20)24(29-13-28-19)30-22-18(26)12-27-25-23(22)35-14-36-25/h10-13,15H,4-9,14H2,1-3H3,(H,27,28,29,30)

이성체 SMILES

CC(C)OC1=CC(=CC2=C1C(=NC=N2)NC3=C4C(=NC=C3Cl)OCO4)OCCN5CCN(CC5)C(=O)C

대체 CAS

692054-06-1

PubChem CID

9893171

MeSH 용어

1-(4-(2-((4-((6-Chloro(1,3)dioxolo(4,5-b)pyridin-7-yl)amino)-5-isopropoxy-7-quinazolinyl)oxy)ethyl)-1-piperazinyl)ethanone;7-(2-(4-acetylpiperazin-1-yl)ethoxy)-N-(6-chloro(1,3)dioxolo(4,5-b)pyridin-7-yl)-5-isopropoxyquinazolin-4-amine;AZD-0424;AZD0424;Eth

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Diazanaphthalenes
      • Subclass Benzodiazines
        • Level5 Quinazolines
          • Level6 Quinazolinamines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Quinazolines
• Direct Parent: Quinazolinamines
• Alternative Parents: Alkyl aryl ethers Aminopyridines and derivatives Aminopyrimidines and derivatives N-alkylpiperazines Aryl chlorides Benzenoids Imidolactams Acetamides Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Trialkylamines Azacyclic compounds Oxacyclic compounds Acetals Carbonyl compounds Organochlorides Organopnictogen compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazolinamine - Alkyl aryl ether - Aminopyridine - Aminopyrimidine - N-alkylpiperazine - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Pyridine - Pyrimidine - Benzenoid - Imidolactam - Tertiary carboxylic acid amide - Heteroaromatic compound - Acetamide - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Oxacycle - Azacycle - Acetal - Ether - Carboxylic acid derivative - Organic oxide - Amine - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Organochloride - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
• 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

화학 및 물리적 특성

• 분자량: 529.000 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 528.189 Da
• Monoisotopic Mass: 528.189 Da
• Topological Polar Surface Area: 111.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 759.000
• 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