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HF50731

CAT: 0931-T62140-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T62140-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2484771-19-7
Target
HIV Protease, Others, CXCR
Related Pathways
GPCR/G Protein, Microbiology/Virology, Proteases/Proteasome, Others, Autophagy, Immunology/Inflammation
Bioactivity
HF50731 is a potent antagonist of CXCR4. HF50731 has a strong binding affinity for CXCR4 (IC50: 19.8 nM) . HF50731 utilizes the CXCR4 co-receptor and effectively inhibits calcium mobilization (IC50: 119.2 nM), cell migration (IC50: 621.4 nM) and HIV-1 infection (IC50: 1.5 nM) . IC50: 1.5 nM) .
Smiles
C(NCCCNC1CCCCC1)C2=CC=C(CNCCCNC3CCCCC3)C=C2
Molecular Formula
C26H46N4
Molecular Weight
414.67
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N'-cyclohexyl-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]propane-1,3-diamine
CAS Number2484771-19-7
PubChem CID163408878
IUPAC NameN'-cyclohexyl-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]propane-1,3-diamine
Molecular FormulaC26H46N4
Molecular Weight414.7
XLogP5.2
Topological Polar Surface Area48.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Heavy Atom Count30
Formal Charge0
Complexity358
SMILES
C1CCC(CC1)NCCCNCC2=CC=C(C=C2)CNCCCNC3CCCCC3
InChI
InChI=1S/C26H46N4/c1-3-9-25(10-4-1)29-19-7-17-27-21-23-13-15-24(16-14-23)22-28-18-8-20-30-26-11-5-2-6-12-26/h13-16,25-30H,1-12,17-22H2
InChIKey
HAKFGEFAVSVPJO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N'-cyclohexyl-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]propane-1,3-diamine
CAS: 2484771-19-7
CID: 163408878
Formula: C26H46N4
MW: 414.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.7
XLogP35.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Exact Mass414.37224748
Monoisotopic Mass414.37224748
Topological Polar Surface Area48.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity358
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-146413HF50731

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