USL311 - ≥98% , CAS No.1373268-67-7

CAS: 1373268-67-7 Cat. No.: U413038 분자식: C₂₄H₃₄N₆O 분자량: 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

개요

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

동의어

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 |

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

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.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

• Pubchem Sid: 528767598
• 정식 스마일: 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)
• 이성체 SMILES: CC(C)N1CCC(CC1)N2CCCN(CC2)C3=CC=CC(=N3)C(=O)NC4=CC=NC=C4
• PubChem CID: 56961879
• 분자량: 422.57

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 분자량: 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