AMD 3465 hexahydrobromide - ≥97% , CAS No.185991-07-5

CAS: 185991-07-5 Cat. No.: A274943 Summenformel: C₂₄H₃₈N₅ · 6HBr Molekulargewicht: 896.07 PubChem CID: 9897616

GRADE & PURITY ≥97%

Synonyms

N-[[4-(1,4,8,11-Tetraazacyclotetradec-1-ylmethyl)phenyl]methyl]-2-pyridinemethanaminehexahydrobromide | GENZ-644494 hexahydrobromide

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Übersicht

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyme

N-[[4-(1,4,8,11-Tetraazacyclotetradec-1-ylmethyl)phenyl]methyl]-2-pyridinemethanaminehexahydrobromide | GENZ-644494 hexahydrobromide

Spezifikationen & Reinheit

≥97%

Biochemische und physiologische Mechanismen

Potent and selective CXCR4 antagonist. Shows 8-fold greater affinity than AMD 3100 . Potent HIV entry inhibitor (IC 50 = ~10 nM). Additionally mobilizes stem cells in vivo .

Storage

Store at -20°C,Desiccated

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Hinweis

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 504765055
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765055
• Kanonisches Lächeln: C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CNCC3=CC=CC=N3.Br.Br.Br.Br.Br.Br
• IUPAC Name: N-(pyridin-2-ylmethyl)-1-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methanamine;hexahydrobromide
• InChIKey: ARHBIBDGWDRBJH-UHFFFAOYSA-N
• INCHI: 1S/C24H38N6.6BrH/c1-2-13-29-24(5-1)20-28-19-22-6-8-23(9-7-22)21-30-17-4-12-26-15-14-25-10-3-11-27-16-18-30;;;;;;/h1-2,5-9,13,25-28H,3-4,10-12,14-21H2;6*1H
• Isomere SMILES: C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CNCC3=CC=CC=N3.Br.Br.Br.Br.Br.Br
• Alternative CAS-Nummer: 185991-24-6
• PubChem CID: 9897616
• Molekulargewicht: 896.07

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines 2-pyridylmethylamines Aralkylamines Heteroaromatic compounds Trialkylamines Dialkylamines Azacyclic compounds Hydrocarbon derivatives Hydrobromides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzylamine - 2-pyridylmethylamine - Phenylmethylamine - Aralkylamine - Pyridine - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Secondary aliphatic amine - Azacycle - Secondary amine - Organoheterocyclic compound - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Hydrobromide - Amine - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water to 50 mM and in DMSO to 25 mM
• Empfindlichkeit: Moisture sensitive
• Molekulargewicht: 896.100 g/mol
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 895.867 Da
• Monoisotopic Mass: 889.873 Da
• Topological Polar Surface Area: 64.300 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 413.000
• 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: 7

XLogP3