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CXCR7 antagonist-1

CAT: 0013-GTR19189563-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189563-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CXCR7 antagonist-1 is a selective small molecule inhibitor that blocks SDF-1 and I-TAC binding to the CXCR7 receptor. It has been utilized in research to investigate tumorigenesis and inflammatory diseases, demonstrating efficacy in suppressing tumor cell proliferation in both in vitro and in vivo experimental models.
CAS Number
1613021-99-0
Product Name Alternative
CXCR7 antagonist1, CXCR-7 antagonist-1, CXCR7 antagonist-1, CXCR7, CXCR7 antagonist 1
Field of Research
Cell Biology, Immunology & Inflammation, Neuroscience, Pharmacology & Drug Discovery, Stem Cell & Developmental Biology; Pharmacology & Drug Discovery
Purity
99.51% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (8.45 mM) ; DMSO:90 mg/mL (230.53 mM)
Smiles
Fc1ccc (cc1) -n1ccc (n1) C (=O) N[C@H]1CCN (C1) c1nccn2cccc12
Molecular Formula
C21H19FN6O
Molecular Weight
390.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CXCR7 antagonist-1
CAS Number1613021-99-0
PubChem CID90192074
IUPAC Name1-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide
Molecular FormulaC21H19FN6O
Molecular Weight390.4
XLogP3.5
Topological Polar Surface Area67.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity586
SMILES
C1CN(C[C@H]1NC(=O)C2=NN(C=C2)C3=CC=C(C=C3)F)C4=NC=CN5C4=CC=C5
InChI
InChI=1S/C21H19FN6O/c22-15-3-5-17(6-4-15)28-12-8-18(25-28)21(29)24-16-7-11-27(14-16)20-19-2-1-10-26(19)13-9-23-20/h1-6,8-10,12-13,16H,7,11,14H2,(H,24,29)/t16-/m0/s1
InChIKey
IGJCDMUXCOCMMI-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of CXCR7 antagonist-1
CAS: 1613021-99-0
CID: 90192074
Formula: C21H19FN6O
MW: 390.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.4
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass390.16043741
Monoisotopic Mass390.16043741
Topological Polar Surface Area67.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity586
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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