USL311 - ≥98% , CAS No.1373268-67-7

CAS: 1373268-67-7 Cat. No.: U413038 Formula: C₂₄H₃₄N₆O Peso molecolare: 422.57 PubChem CID: 56961879

GRADE & PURITY ≥98%

Synonyms

6-{4-[1-(propan-2-yl)piperidin-4-yl]-1,4-diazepan-1-yl}-N-(pyridin-4-yl)pyridine-2-carboxamide | BCP33234 | 1373268-67-7 | 2-Pyridinecarboxamide, 6-[hexahydro-4-[1-(1-methylethyl)-4-piperidinyl]-1h-1,4-diazepin-1-yl]-n-4-pyridinyl- | YEC26867 | DB15265 |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

USL311 is a CXCR4 receptor antagonist which prevents the binding of stromal-cell derived factor-1 (SDF-1 or CXCL12) to CXCR4. USL311 inhibits CXCR4 activation and decreases proliferation and migration of CXCR4-expressing tumor cells, with anti-tumor activity.

Specifications

Sinonimi

6-{4-[1-(propan-2-yl)piperidin-4-yl]-1,4-diazepan-1-yl}-N-(pyridin-4-yl)pyridine-2-carboxamide | BCP33234 | 1373268-67-7 | 2-Pyridinecarboxamide, 6-[hexahydro-4-[1-(1-methylethyl)-4-piperidinyl]-1h-1,4-diazepin-1-yl]-n-4-pyridinyl- | YEC26867 | DB15265 |

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

USL311 is a selective antagonist of CXCR4 with anti-tumor activity. USL311 prevents the binding of stromal-cell derived factor-1 (SDF-1 or CXCL12) to CXCR4.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 528767598
• Sorrisi canonici: CC(C)N1CCC(CC1)N2CCCN(CC2)C3=CC=CC(=N3)C(=O)NC4=CC=NC=C4
• IUPAC Name: 6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-pyridin-4-ylpyridine-2-carboxamide
• InChIKey: XNUNVQKARNSSEO-UHFFFAOYSA-N
• INCHI: 1S/C24H34N6O/c1-19(2)28-15-9-21(10-16-28)29-13-4-14-30(18-17-29)23-6-3-5-22(27-23)24(31)26-20-7-11-25-12-8-20/h3,5-8,11-12,19,21H,4,9-10,13-18H2,1-2H3,(H,25,26,31)
• Isomeri SMILES: CC(C)N1CCC(CC1)N2CCCN(CC2)C3=CC=CC(=N3)C(=O)NC4=CC=NC=C4
• PubChem CID: 56961879
• Peso molecolare: 422.57

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxamides
• Alternative Parents: Dialkylarylamines 2-heteroaryl carboxamides Aminopyridines and derivatives Aminopiperidines 1,4-diazepanes Imidolactams Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridinecarboxamide - 2-heteroaryl carboxamide - Dialkylarylamine - 1,4-diazepane - 4-aminopiperidine - Aminopyridine - Diazepane - Piperidine - Imidolactam - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Secondary carboxylic acid amide - Tertiary amine - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Amine - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyridinecarboxamides. These are compounds containing a pyridine ring bearing a carboxamide.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 422.600 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 422.279 Da
• Monoisotopic Mass: 422.279 Da
• Topological Polar Surface Area: 64.599 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 558.000
• 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