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Product details

名称

SGC-iMLLT

分子类型

未知

别名

同步加速器

英文名称

SGC-iMLLT

货号

S650627-5mg

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

SGC-iMLLT is a first-in-class chemical probe and a potent, selective inhibitor of MLLT1/3-histone interactions with an IC 50 of 0.26 μM. SGC-iMLLT shows high binding activity towards MLLT1 YEATS domain (YD) and MLLT3 YD (AF9/YEATS3) with K d s of 0.129 and 0.077 μM, respectively In Vivo SGC-iMLLT shows moderate metabolic resistance with t 1/2 of 53 min and 48 % remaining after 60 min, and the primary process for metabolism is N demethylation . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:IC50: 0.26 μM (MLLT1 YD), Kd: 0.077 μM (MLLT3 YD), 0.129 μM (MLLT1 YD)

生化机理

SGC-iMLLT 是一种首创的化学探针，也是 MLLT1/3 组蛋白相互作用的强效选择性抑制剂，其 IC 50 为 0.26 μM。SGC-iMLLT 对 MLLT1 YEATS 结构域（YD）和 MLLT3 YD（AF9/YEATS3）具有很高的结合活性，其 K d s 为 0.129 an (0.129μM)。

CAS号

2255338-25-9

分子式

C22H24N6O

分子量

388.47 g/mol

PubChem编号

134820948

Isomeric SMILES

C[C@H]1CCCN1CC2=NC3=C(N2)C=C(C=C3)NC(=O)C4=CC5=C(C=C4)N(N=C5)C

IIUPAC Name

1-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]indazole-5-carboxamide

INCHI

1S/C22H24N6O/c1-14-4-3-9-28(14)13-21-25-18-7-6-17(11-19(18)26-21)24-22(29)15-5-8-20-16(10-15)12-23-27(20)2/h5-8,10-12,14H,3-4,9,13H2,1-2H3,(H,24,29)(H,25,26)/t14-/m0/s1

InChi Key

QGNDVASWIHEXCL-AWEZNQCLSA-N

Smiles

CC1CCCN1CC2=NC3=C(N2)C=C(C=C3)NC(=O)C4=CC5=C(C=C4)N(N=C5)C

PubChem CID

134820948

溶解性

DMSO : 83.33 mg/mL (214.51 mM; Need ultrasonic)

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

388.201 Da

单同位素质量Monoisotopic Mass

388.201 Da

拓扑极表面积Topological Polar Surface Area

78.800 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

602

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

2.8

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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