PD 90780 - ≥98%(HPLC) , CAS No.77422-99-2

CAS: 77422-99-2 Cat. No.: P287783 분자식: C₁₉H₁₄N₄O₄ 분자량: 362.34 PubChem CID: 9885305

GRADE & PURITY ≥98%(HPLC)

Synonyms

7-(Benzoylamino)-4,9-dihydro-4-methyl-9-oxo-pyrazolo[5,1-b]quinazoline-2-carboxylic acid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

동의어

7-(Benzoylamino)-4,9-dihydro-4-methyl-9-oxo-pyrazolo[5,1-b]quinazoline-2-carboxylic acid

사양 및 순도

≥98%(HPLC)

생화학 및 생리적 메커니즘

A nonpeptide inhibitor of NGF binding to p75NTR(IC50~ 1μM in CHO cells); binds NGF, not p75NTR. Affinity maybe altered by the presence of TrkA receptors. Neuroprotective.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%(HPLC)

이름과 식별자

• Pubchem Sid: 528766547
• 정식 스마일: CN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)C(=O)N4C1=CC(=N4)C(=O)O
• IUPAC Name: 7-benzamido-4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylic acid
• InChIKey: IAZAGXDMMVWYKF-UHFFFAOYSA-N
• INCHI: 1S/C19H14N4O4/c1-22-15-8-7-12(20-17(24)11-5-3-2-4-6-11)9-13(15)18(25)23-16(22)10-14(21-23)19(26)27/h2-10H,1H3,(H,20,24)(H,26,27)
• 이성체 SMILES: CN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)C(=O)N4C1=CC(=N4)C(=O)O
• PubChem CID: 9885305
• 분자량: 362.34

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: Pyrazolo[1,5-a]pyrimidines Benzamides Pyrazole carboxylic acids and derivatives Benzoyl derivatives Pyrimidones Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazolinamine - Benzamide - Pyrazolo[1,5-a]pyrimidine - Benzoic acid or derivatives - Pyrazolopyrimidine - Benzoyl - Pyrazole-5-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - Pyrimidone - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Azole - Heteroaromatic compound - Pyrazole - Vinylogous amide - Lactam - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen 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

관련 대상(인간)

NGFR Tclin Tumor necrosis factor receptor superfamily member 16 (1 Activities)

Discover Target: NGFR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

NGFR Tclin Low affinity neurotrophin receptor p75NTR (32 Activities)

Discover Target: NGFR

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

NTRK1 Tclin Nerve growth factor receptor Trk-A (7922 Activities)

Discover Target: NTRK1

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solvent:1eq. NaOH, Max Conc. mg/mL: 7.25, Max Conc. mM: 20 with sonication
• 분자량: 362.300 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 362.102 Da
• Monoisotopic Mass: 362.102 Da
• Topological Polar Surface Area: 105.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 621.000
• 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