Name: IT1t
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212672375
Cas No:864677-55-4
常用名:IT1t
IUPAC:(Z)-N,N'-dicyclohexyl[({6,6-dimethyl-5H,6H-imidazo[2,1-b][1,3]thiazol-3-yl}methyl)sulfanyl]methanimidamide
IUPAC:(Z)-N,N'-dicyclohexyl[({6,6-dimethyl-5H,6H-imidazo[2,1-b][1,3]thiazol-3-yl}methyl)sulfanyl]methanimidamide
InChI key:OOSUDWRRWZVFEB-UHFFFAOYSA-N

分子式:C21H34N4S2
分子量:406.65
氢键供体数 (HBD):1
氢键受体数 (HBA):4
LogP:5.0144577
SMILES:CC1(C)CN2C(CS\C(NC3CCCCC3)=N/C3CCCCC3)=CSC2=N1 |c:24,28|
SMILES:CC1(C)CN2C(CS\C(NC3CCCCC3)=N/C3CCCCC3)=CSC2=N1 |c:24,28|

IT1t inhibits CXCL12/CXCR4 interaction with an IC50 of 2.1 nM. is a potent CXCR4 antagonist.

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