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Product details

名称

CCI-006

分子类型

小分子

英文名称

CCI-006

货号

C650013-5mg

包装规格

5mg

浓度

≥98%

储存温度

-20°C储存

运输条件

超低温冰袋运输

产品介绍

CCI-006 is a selective inhibitor and chemosensitizer of MLL-rearranged leukemia cells, by inhibits mitochondrial respiration resulting in insurmountable mitochondrial depolarization and a pro-apoptotic unfolded protein response (UPR) in a subset of MLL-r leukemia cells Form:Solid IC50& Target:Mitochondria

生化机理

CCI-006 是一种针对 MLL 重组白血病细胞的选择性抑制剂和化疗增敏剂，它能抑制线粒体呼吸，导致线粒体去极化和促进凋亡的未折叠蛋白反应（UPR）。

CAS号

292053-42-0

分子式

C15H12N2O5S

分子量

332.3 g/mol

PubChem编号

710526

Isomeric SMILES

COC(=O)/C(=C/C1=CC=C(O1)C2=CC=C(C=C2)S(=O)(=O)N)/C#N

IIUPAC Name

methyl (E)-2-cyano-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enoate

INCHI

1S/C15H12N2O5S/c1-21-15(18)11(9-16)8-12-4-7-14(22-12)10-2-5-13(6-3-10)23(17,19)20/h2-8H,1H3,(H2,17,19,20)/b11-8+

InChi Key

VEXAKEBSBMAIOB-DHZHZOJOSA-N

Smiles

COC(=O)C(=CC1=CC=C(O1)C2=CC=C(C=C2)S(=O)(=O)N)C#N

PubChem CID

710526

溶解性

DMSO : ≥ 83.33 mg/mL (250.74 mM)

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

332.047 Da

单同位素质量Monoisotopic Mass

332.047 Da

拓扑极表面积Topological Polar Surface Area

132.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

620

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

1.9

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

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「No related articles yet」

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