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AMD-3329 hydrobromide

CAT: 0013-GTR19209727-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209727-03Size:100 mg
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Description
AMD-3329 hydrobromide is a potent and selective CXCR4 chemokine receptor antagonist, inhibiting the entry and replication of X4-tropic HIV-1 and HIV-2 viruses. It is utilized in virology and immunology research for investigating viral entry mechanisms and co-receptor usage in both in vitro and in vivo experimental models.
CAS Number
170861-77-5
Field of Research
Cell Biology, Immunology & Inflammation, Infectious Disease & Virology, Pharmacology & Drug Discovery, Protein Biochemistry
Smiles
Br.Br.Br.Br.Br.Br.Br.Br.C (N1CCNCCc2cccc (CCNCC1) n2) c1ccc (CN2CCNCCc3cccc (CCNCC2) n3) cc1
Molecular Formula
C34H58Br8N8
Molecular Weight
1218.13
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Amd 3329
CAS Number170861-77-5
PubChem CID71300627
IUPAC Name7-[[4-(4,7,10,17-tetrazabicyclo[11.3.1]heptadeca-1(17),13,15-trien-7-ylmethyl)phenyl]methyl]-4,7,10,17-tetrazabicyclo[11.3.1]heptadeca-1(17),13,15-triene;octahydrobromide
Molecular FormulaC34H58Br8N8
Molecular Weight1218.1
Topological Polar Surface Area80.4
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count50
Formal Charge0
Complexity603
SMILES
C1CNCCN(CCNCCC2=CC=CC1=N2)CC3=CC=C(C=C3)CN4CCNCCC5=NC(=CC=C5)CCNCC4.Br.Br.Br.Br.Br.Br.Br.Br
InChI
InChI=1S/C34H50N8.8BrH/c1-3-31-11-15-35-19-23-41(24-20-36-16-12-32(4-1)39-31)27-29-7-9-30(10-8-29)28-42-25-21-37-17-13-33-5-2-6-34(40-33)14-18-38-22-26-42;;;;;;;;/h1-10,35-38H,11-28H2;8*1H
InChIKey
PTUYNGRETVWEER-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Amd 3329
CAS: 170861-77-5
CID: 71300627
Formula: C34H58Br8N8
MW: 1218.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1218.1
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass1217.81695
Monoisotopic Mass1209.82514
Topological Polar Surface Area80.4 Ų
Heavy Atom Count50
Formal Charge0
Complexity603
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count9
Compound Is CanonicalizedYes

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