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AMD-070 hydrochloride

CAT: 0013-GTR19172667-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19172667-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AMD-070 hydrochloride is a potent and selective small molecule antagonist of the CXCR4 chemokine receptor. It has demonstrated anti-HIV activity by blocking viral entry through X4 co-receptor antagonism in both in vitro cellular assays and in vivo animal models of HIV infection.
CAS Number
880549-30-4
Product Name Alternative
CXCR4, AMD 070 Hydrochloride, AMD070 hydrochloride, AMD070 Hydrochloride, AMD 070 hydrochloride, AMD-070 Hydrochloride
Field of Research
Cell Biology, Immunology & Inflammation, Infectious Disease & Virology, Pharmacology & Drug Discovery, Protein Biochemistry
Purity
98.38% (May vary between batches)
Solubility
DMSO:60 mg/mL (155.47 mM) ; H2O:50 mg/mL (129.56 mM)
Smiles
C1C[C@@H] (C2=C (C1) C=CC=N2) N (CCCCN) CC3=NC4=CC=CC=C4N3.Cl
Molecular Formula
C21H28ClN5
Molecular Weight
385.93
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

AMD-070 hydrochloride
CAS Number880549-30-4
PubChem CID71576687
IUPAC NameN'-(1H-benzimidazol-2-ylmethyl)-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;hydrochloride
Molecular FormulaC21H28ClN5
Molecular Weight385.9
Topological Polar Surface Area70.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity431
SMILES
C1C[C@@H](C2=C(C1)C=CC=N2)N(CCCCN)CC3=NC4=CC=CC=C4N3.Cl
InChI
InChI=1S/C21H27N5.ClH/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19;/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25);1H/t19-;/m0./s1
InChIKey
DBNMEMJSDAAGNZ-FYZYNONXSA-N
Chemical Structure
2D Structure
2D structure of AMD-070 hydrochloride
CAS: 880549-30-4
CID: 71576687
Formula: C21H28ClN5
MW: 385.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass385.2033236
Monoisotopic Mass385.2033236
Topological Polar Surface Area70.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity431
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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