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名称

CVT-12012

分子类型

小分子

英文别名

CVT 12012; CVT12012 | AC-36268 | 2-Hydroxy-N-(2-(3-methyl-2-oxo-7-(((3-(trifluoromethyl)phenyl)methyl)amino)-1,2-dihydroquinoxalin-1-yl)ethyl)acetamide | 2-hydroxy-N-(2-(3-methyl-2-oxo-7-(3-(trifluoromethyl)benzylamino)quinoxalin-1(2H)-yl)ethyl)acetamide

英文名称

CVT-12012

货号

C649842-5mg

包装规格

5mg

浓度

≥99%

储存温度

-20°C储存

运输条件

超低温冰袋运输

产品介绍

CVT-12012 is a potent and orally bioavailable stearoyl-coA desaturase (SCD) inhibitor, with IC 50 s of 38 nM, 6.1 nM for rat microsomal and human HEPG2, respectively. In Vitro CVT-12012 (Compound 5b) displays the highest potency in both the microsomal and the HEPG2 SCD assays (IC 50 38 nM and 6.1 nM, respectively) compared to the other methyl-substituted compounds. MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo In a rat PK study, CVT-12012 demonstrates good oral bioavailability (78%). It appears that the oral absorption of CVT-12012 is not affected by a significant Pgp efflux, which is expected based on Caco-2 assay result. The plasma clearance of CVT-12012 is high (88 mL/min/kg) with elimination half-life of approximately 1 h . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:IC50: 38 nM (rat microsomal), 6.1 nM (human HEPG2)

生化机理

CVT-12012 是一种强效且可口服的硬脂酰-coA 去饱和酶 (SCD) 抑制剂，对大鼠微粒体和人类 HEPG2 的 IC 50 s 分别为 38 nM 和 6.1 nM。

CAS号

1018675-35-8

分子式

C21H21F3N4O3

分子量

434.41 g/mol

PubChem编号

25195516

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)NCC3=CC(=CC=C3)C(F)(F)F)N(C1=O)CCNC(=O)CO

IIUPAC Name

2-hydroxy-N-[2-[3-methyl-2-oxo-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide

INCHI

1S/C21H21F3N4O3/c1-13-20(31)28(8-7-25-19(30)12-29)18-10-16(5-6-17(18)27-13)26-11-14-3-2-4-15(9-14)21(22,23)24/h2-6,9-10,26,29H,7-8,11-12H2,1H3,(H,25,30)

InChi Key

HRAQDVZJYIAWOV-UHFFFAOYSA-N

Smiles

CC1=NC2=C(C=C(C=C2)NCC3=CC(=CC=C3)C(F)(F)F)N(C1=O)CCNC(=O)CO

PubChem CID

25195516

关联CAS

1018675-35-8

溶解性

DMSO : 125 mg/mL (287.75 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

434.157 Da

单同位素质量Monoisotopic Mass

434.157 Da

拓扑极表面积Topological Polar Surface Area

94.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

685

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」

Articles

「No related articles yet」

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