PH-002 - ≥98% , CAS No.1311174-68-1

CAS: 1311174-68-1 Cat. No.: P412166 Formule: C₂₇H₃₃N₅O₄ Poids moléculaire: 491.58 PubChem CID: 71451956

QUALITÉ & PURETÉ ≥98%

Synonyms

tert-Butyl 4-(4-(2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamido)benzyl)piperazine-1-carboxylate

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Spécifications

Synonymes

tert-Butyl 4-(4-(2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamido)benzyl)piperazine-1-carboxylate

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

PH-002 is an inhibitor of apolipoprotein (apo) E4 intramolecular domain interaction in neuronal cells. The interaction restores mitochondrial cytochrome c oxidase subunit 1 levels and rescues impairments of mitochondrial motility and neurite outgrowth.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528766634

Sourires canoniques

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC=C(C=C2)NC(=O)CC3=NN(C(=O)C4=CC=CC=C43)C

IUPAC Name

tert-butyl 4-[[4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]methyl]piperazine-1-carboxylate

InChIKey

GSXXTLWPQMHHDJ-UHFFFAOYSA-N

INCHI

1S/C27H33N5O4/c1-27(2,3)36-26(35)32-15-13-31(14-16-32)18-19-9-11-20(12-10-19)28-24(33)17-23-21-7-5-6-8-22(21)25(34)30(4)29-23/h5-12H,13-18H2,1-4H3,(H,28,33)

Isomères SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC=C(C=C2)NC(=O)CC3=NN(C(=O)C4=CC=CC=C43)C

WGK Allemagne

3

PubChem CID

71451956

Poids moléculaire

491.58

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazanaphthalenes
      • Subclass Benzodiazines
        • Level5 Phthalazines
          • Level6 Phthalazinones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Phthalazines
• Direct Parent: Phthalazinones
• Alternative Parents: Anilides Piperazine carboxylic acids Phenylmethylamines Benzylamines N-arylamides Aralkylamines Pyridazinones N-alkylpiperazines Carbamate esters Heteroaromatic compounds Secondary carboxylic acid amides Trialkylamines Lactams Azacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalazinone - Piperazine-1-carboxylic acid - Anilide - Benzylamine - Phenylmethylamine - N-arylamide - Pyridazinone - Aralkylamine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyridazine - Benzenoid - Carbamic acid ester - Heteroaromatic compound - Secondary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Lactam - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phthalazinones. These are compounds containing a phthalazine bearing a ketone 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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 491.600 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 491.253 Da
• Monoisotopic Mass: 491.253 Da
• Topological Polar Surface Area: 94.600 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 838.000
• 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