Lanopepden - ≥98% , CAS No.1152107-25-9

CAS: 1152107-25-9 Cat. No.: L1051058 EC Number: 629-881-5 PubChem CID: 52918384

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1=NC(=C(C(=N1)N2CCN3CCOCC3C2)F)NNC(=O)C(CC4CCCC4)CN(C=O)O
• IUPAC Name: N-[(2R)-3-[2-[6-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
• InChIKey: SWHNZGMQMGFQGW-MSOLQXFVSA-N
• INCHI: 1S/C22H34FN7O4/c1-15-24-20(19(23)21(25-15)29-7-6-28-8-9-34-13-18(28)12-29)26-27-22(32)17(11-30(33)14-31)10-16-4-2-3-5-16/h14,16-18,33H,2-13H2,1H3,(H,27,32)(H,24,25,26)/t17-,18+/m1/s1
• Isomeric SMILES: CC1=NC(=C(C(=N1)N2CCN3CCOC[C@@H]3C2)F)NNC(=O)[C@H](CC4CCCC4)CN(C=O)O
• Alternate CAS: 1152107-25-9
• PubChem CID: 52918384
• MeSH Entry Terms: GSK1322322

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylpiperazines
• Alternative Parents: Beta amino acids and derivatives Dialkylarylamines Aminopyrimidines and derivatives N-alkylpiperazines Halopyrimidines Aryl fluorides Morpholines Imidolactams Heteroaromatic compounds Trialkylamines Hydroxamic acids Carboxylic acid hydrazides Dialkyl ethers Azacyclic compounds Oxacyclic compounds Organic oxides Carbonyl compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylpiperazine - Beta amino acid or derivatives - Dialkylarylamine - Halopyrimidine - Aminopyrimidine - N-alkylpiperazine - Morpholine - Oxazinane - Pyrimidine - Aryl fluoride - Aryl halide - Imidolactam - Heteroaromatic compound - Tertiary aliphatic amine - Hydroxamic acid - Amino acid or derivatives - Tertiary amine - Carboxylic acid hydrazide - Oxacycle - Carboxylic acid derivative - Azacycle - Dialkyl ether - Ether - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl 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

Chemical and Physical Properties

• Molecular Weight: 479.500 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 479.266 Da
• Monoisotopic Mass: 479.266 Da
• Topological Polar Surface Area: 123.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 686.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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