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Product details

名称

Duocarmycin TM

分子类型

小分子

别名

多卡米星

英文名称

Duocarmycin TM

货号

D650738-5mg

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

Duocarmycin TM (CBI-TMI) is a potent antitumor antibiotic . Duocarmycin TM induces a sequence-selective alkylation of duplex DNA. In Vitro Duocarmycin TM (60 μM; 4 d; BJAB and WSU-DLCL2 cells) is a cytotoxic agent that inhibits the proliferation of tumor cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: BJAB and WSU-DLCL2 cells Concentration: 60 μM Incubation Time: 4 days Result: Inhibited the proliferation of tumor cells with IC 50 values of 0.153 μM and 0.079μM for BJAB and WSU-DLCL2 cells, respectively. Form:Solid IC50& Target:Duocarmycins

生化机理

Duocarmycin TM（CBI-TMI）是一种强效抗肿瘤抗生素。Duocarmycin TM 可诱导双链 DNA 发生序列选择性烷基化。

CAS号

157922-77-5

分子式

C25H23ClN2O5

分子量

466.91 g/mol

PubChem编号

394851

Isomeric SMILES

COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3C[C@H](C4=C3C=C(C5=CC=CC=C54)O)CCl)OC)OC

IIUPAC Name

[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone

INCHI

1S/C25H23ClN2O5/c1-31-20-9-13-8-17(27-22(13)24(33-3)23(20)32-2)25(30)28-12-14(11-26)21-16-7-5-4-6-15(16)19(29)10-18(21)28/h4-10,14,27,29H,11-12H2,1-3H3/t14-/m1/s1

InChi Key

NRHDGIYFJJUFKN-CQSZACIVSA-N

Smiles

COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)O)CCl)OC)OC

PubChem CID

394851

溶解性

DMSO : ≥ 50 mg/mL (107.09 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

466.13 Da

单同位素质量Monoisotopic Mass

466.13 Da

拓扑极表面积Topological Polar Surface Area

84.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

712

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

4.6

NSC Number

698927

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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