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HF51116

CAT: 0013-GTR19184971-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19184971-03Size:100 mg
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Description
HF51116 is a potent and selective CXCR4 antagonist that inhibits SDF-1α-mediated functions, including cell migration and calcium flux. It blocks HIV-1 X4-tropic viral entry and shows research utility in studies of stem cell mobilization and cancer metastasis in both cellular and animal models.
CAS Number
2177311-29-2
Field of Research
Cell Biology, Immunology & Inflammation, Pharmacology & Drug Discovery
Smiles
C (NC ([C@H] (NCC1=CC=CC=N1) CCCNC (=N) N) =O) C2=CC=C (CNCCCNC3CCCCC3) C=C2
Molecular Formula
C29H46N8O
Molecular Weight
522.73
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 146970181
CAS Number2177311-29-2
PubChem CID146970181
IUPAC Name(2R)-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-(diaminomethylideneamino)-2-(pyridin-2-ylmethylamino)pentanamide
Molecular FormulaC29H46N8O
Molecular Weight522.7
XLogP2
Topological Polar Surface Area142
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count17
Heavy Atom Count38
Formal Charge0
Complexity657
SMILES
C1CCC(CC1)NCCCNCC2=CC=C(C=C2)CNC(=O)[C@@H](CCCN=C(N)N)NCC3=CC=CC=N3
InChI
InChI=1S/C29H46N8O/c30-29(31)35-18-6-11-27(36-22-26-10-4-5-17-34-26)28(38)37-21-24-14-12-23(13-15-24)20-32-16-7-19-33-25-8-2-1-3-9-25/h4-5,10,12-15,17,25,27,32-33,36H,1-3,6-9,11,16,18-22H2,(H,37,38)(H4,30,31,35)/t27-/m1/s1
InChIKey
AMGQQWNQWHMPHG-HHHXNRCGSA-N
Chemical Structure
2D Structure
2D structure of CID 146970181
CAS: 2177311-29-2
CID: 146970181
Formula: C29H46N8O
MW: 522.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight522.7
XLogP32
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count17
Exact Mass522.37945812
Monoisotopic Mass522.37945812
Topological Polar Surface Area142 Ų
Heavy Atom Count38
Formal Charge0
Complexity657
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-144347HF51116

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