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isothiourea-1t , CAS No.I611190, Antagonist of CXCR4
Basic Description
| Specifications & Purity | Moligand™ |
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| Grade | Moligand™ |
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| Action Type | ANTAGONIST |
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| Mechanism of action | Antagonist of CXCR4 |
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Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| IUPAC Name | 6-dimethyl-5H,6H-imidazo[2,1-b][1,3]thiazol-3-yl}methyl)sulfanyl]methanimidamide |
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| INCHI | InChI=1S/C21H34N4S2/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h14,16-17H,3-13,15H2,1-2H3,(H,22,23) |
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| InChi Key | OOSUDWRRWZVFEB-UHFFFAOYSA-N |
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| Canonical SMILES | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 |
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| Isomeric SMILES | CC1(CN2C(=CSC2=N1)CSC(=NC3CCCCC3)NC4CCCCC4)C |
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| PubChem CID | 25147749 |
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References
| 1. Thoma G, Streiff MB, Kovarik J, Glickman F, Wagner T, Beerli C, Zerwes HG. (2008) Orally bioavailable isothioureas block function of the chemokine receptor CXCR4 in vitro and in vivo.. J Med Chem, 51 (24): (7915-20). [PMID:19053768] [10.1021/op500134e] |
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