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AMD 3465 hexahydrobromide - 10mM in Water, high purity , CAS No.185991-07-5
Potent and selective CXCR4 antagonist
Basic Description
Synonyms
N-[[4-(1,4,8,11-Tetraazacyclotetradec-1-ylmethyl)phenyl]methyl]-2-pyridinemethanaminehexahydrobromide
Specifications & Purity
10mM in Water
Biochemical and Physiological Mechanisms
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 Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
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
Description
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.
Names and Identifiers
IUPAC Name
N-(pyridin-2-ylmethyl)-1-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methanamine;hexahydrobromide
INCHI
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
InChIKey
ARHBIBDGWDRBJH-UHFFFAOYSA-N
Smiles
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CNCC3=CC=CC=N3.Br.Br.Br.Br.Br.Br
Isomeric SMILES
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CNCC3=CC=CC=N3.Br.Br.Br.Br.Br.Br
Alternate CAS
185991-24-6
PubChem CID
9897616
Molecular Weight
896.07
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
896.100 g/mol
XLogP3
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
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