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CXCR4 modulator-2

CAT: 0013-GTR19186255-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186255-02Size:50 mg
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Description
CXCR4 modulator-2 (Z7R) is a potent small molecule CXCR4 antagonist with an IC50 of 1.25 nM. It demonstrates good serum stability and has shown anti-inflammatory efficacy in a mouse edema model, supporting its use in researching inflammation, cancer metastasis, and HIV infection in both cellular and animal studies.
CAS Number
2488943-55-9
Field of Research
Cell Biology, Immunology & Inflammation, Pharmacology & Drug Discovery
Smiles
C (CC (=O) N1CCC (NC ([C@@H] (CCCNC (=N) N) N) =O) CC1) N2C=3C (C=C2) =CC=NC3
Molecular Formula
C21H32N8O2
Molecular Weight
428.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CXCR4 modulator-2
CAS Number2488943-55-9
PubChem CID163408846
IUPAC Name(2R)-2-amino-5-(diaminomethylideneamino)-N-[1-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperidin-4-yl]pentanamide
Molecular FormulaC21H32N8O2
Molecular Weight428.5
XLogP-1.5
Topological Polar Surface Area158
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity631
SMILES
C1CN(CCC1NC(=O)[C@@H](CCCN=C(N)N)N)C(=O)CCN2C=CC3=C2C=NC=C3
InChI
InChI=1S/C21H32N8O2/c22-17(2-1-8-26-21(23)24)20(31)27-16-5-11-29(12-6-16)19(30)7-13-28-10-4-15-3-9-25-14-18(15)28/h3-4,9-10,14,16-17H,1-2,5-8,11-13,22H2,(H,27,31)(H4,23,24,26)/t17-/m1/s1
InChIKey
XGBDFRYDWBIIFL-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of CXCR4 modulator-2
CAS: 2488943-55-9
CID: 163408846
Formula: C21H32N8O2
MW: 428.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.5
XLogP3-1.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass428.26482229
Monoisotopic Mass428.26482229
Topological Polar Surface Area158 Ų
Heavy Atom Count31
Formal Charge0
Complexity631
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

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CatalogName
HY-146054CXCR4 modulator-2
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HY-149558CXCR4-IN-2
T39742CXCR4 antagonist 2
TMAB-00510-01Anti-CXCR4 Polyclonal Antibody 2
OOCA00516-25TOOCA00516-25T - Human CXCR4 Primer Pair 2
K0536303CXCR4 sgRNA CRISPR Lentivector (Human) (Target 2)
K6885603Cxcr4 sgRNA CRISPR Lentivector (Rat) (Target 2)
TMAB-10557-01Anti-Phospho-CXCR4 (Ser339) Polyclonal Antibody 2
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