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名称

Nanatinostat

分子类型

小分子

别名

纳那替诺

英文别名

SB16879 | 1256448-47-1 | DB15419 | Nanatinostat [USAN] | GTPL8391 | BDBM50347385 | 2-[(1R,5S,6S)-6-{[(6-Fluoroquinolin-2-yl)methyl]amino}-3-azabicyclo[3.1.0]hex-3-yl]-N-hydroxypyrimidine-5-carboxamide | 2-[(1S,5R)-6-[(6-fluoroquinolin-2-yl)methylamino]-3-

英文名称

Nanatinostat

货号

N651466-5mg

包装规格

5mg

级别

Moligand™

浓度

≥98%

储存温度

-20°C储存,充氩

运输条件

超低温冰袋运输

生化机理

Nanatinostat (CHR-3996) 是一种有效的 I 类选择性的组蛋白去乙酰化酶 (HDAC) 抑制剂，IC50 值为 8 nM。

CAS号

1256448-47-1

分子式

C20H19FN6O2

分子量

394.40 g/mol

PubChem编号

49857317

Isomeric SMILES

C1[C@@H]2[C@@H](C2NCC3=NC4=C(C=C3)C=C(C=C4)F)CN1C5=NC=C(C=N5)C(=O)NO

IIUPAC Name

2-[(1S,5R)-6-[(6-fluoroquinolin-2-yl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]-N-hydroxypyrimidine-5-carboxamide

INCHI

1S/C20H19FN6O2/c21-13-2-4-17-11(5-13)1-3-14(25-17)8-22-18-15-9-27(10-16(15)18)20-23-6-12(7-24-20)19(28)26-29/h1-7,15-16,18,22,29H,8-10H2,(H,26,28)/t15-,16+,18?

InChi Key

QRGHOAATPOLDPF-BYICEURKSA-N

Smiles

C1C2C(C2NCC3=NC4=C(C=C3)C=C(C=C4)F)CN1C5=NC=C(C=N5)C(=O)NO

PubChem CID

49857317

关联CAS

1256448-47-1

MeSH Entry Terms

2-(6-(((6-fluoroquinolin-2-yl)methyl)amino)bicyclo(3.1.0)hex-3-yl)-N-hydroxypyrimidine-5-carboxamide;CHR 3996;CHR-3996;CHR3996

溶解性

DMSO : 33.33 mg/mL (84.51 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

394.155 Da

单同位素质量Monoisotopic Mass

394.155 Da

拓扑极表面积Topological Polar Surface Area

103.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

592.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

1.000

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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