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名称

代谢酶/蛋白酶

英文别名

1184940-46-2 | A921421 | N'-[(2S)-2-(3,5-Difluorophenyl)-2-hydroxyacetyl]-2-ethyl-4-hydroxy-3-methylbenzohydrazide | F84815 | S-EMD638683 | NCGC00390695-02 | EMD-638683 | MS-25798 | J4B | HY-15193B | DTXSID50735350 | AKOS030526291 | EMD638683 S-Form | SCH

英文名称

EMD638683 S-Form

货号

E646668-5mg

包装规格

5mg

储存温度

2-8°C储存,干燥

运输条件

冰袋运输

产品介绍

EMD638683 S-Form is the S-form of EMD638683. EMD638683 is a highly selective SGK1 inhibitor with IC 50 of 3 μM. Form:Solid

生化机理

EMD638683 S-Form 是 EMD638683 的 S-形式。EMD638683 是一种高选择性 SGK1 抑制剂，IC50 为 3 μM。

CAS号

1184940-46-2

分子式

C18H18F2N2O4

分子量

364.34 g/mol

PubChem编号

66577017

Isomeric SMILES

CCC1=C(C=CC(=C1C)O)C(=O)NNC(=O)[C@H](C2=CC(=CC(=C2)F)F)O

IIUPAC Name

N'-[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]-2-ethyl-4-hydroxy-3-methylbenzohydrazide

INCHI

1S/C18H18F2N2O4/c1-3-13-9(2)15(23)5-4-14(13)17(25)21-22-18(26)16(24)10-6-11(19)8-12(20)7-10/h4-8,16,23-24H,3H2,1-2H3,(H,21,25)(H,22,26)/t16-/m0/s1

InChi Key

SSNAPUUWBPZGOY-INIZCTEOSA-N

Smiles

CCC1=C(C=CC(=C1C)O)C(=O)NNC(=O)C(C2=CC(=CC(=C2)F)F)O

关联CAS

1184940-46-2

MeSH Entry Terms

EMD 638683;EMD-638683;EMD638683

溶解性

DMSO : ≥ 100 mg/mL (274.47 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

364.123 Da

单同位素质量Monoisotopic Mass

364.123 Da

拓扑极表面积Topological Polar Surface Area

98.700 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

498.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

2.800

Reaxy-Rn

21240670

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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