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Product details

名称

BMS-816336

分子类型

小分子

英文别名

英文名称

BMS-816336

货号

B647971-5mg

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

BMS-816336 is a novel, potent and orally bioavailable inhibitor against human 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) enzyme with an IC 50 of 3.0 nM In Vitro 11β-HSD1 inhibition may be useful in the treatment of type II diabetes and other potential clinical utilities such as atheroprotection and cognitive protection. BMS-816336 (6n-2) inhibits 11β-HSD1 enzyme in HEK and 3T3L1 cells with IC 50 s of 37.3 and 28.6 nM, respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo BMS-816336 represents a potential new treatment for type 2 diabetes, metabolic syndrome, and other human diseases modulated by glucocorticoid control. BMS-816336 (6n-2) exhibits a robust acute pharmacodynamic effect in cynomolgus monkeys (ED 50 =0.12 mg/kg) and in DIO mice (1, 3, 10, 30, 100 mg/kg, 120 mintues). It is orally bioavailable (%F ranges from 20 to 72% in preclinical species) and has a predicted pharmacokinetic profile of a high peak to trough ratio and short half-life in humans . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Nonfasting diet-induced obese male mice Dosage: 1, 3, 10, 30, 100 mg/kg Administration: Oral, 120 mintues Result: ED 50 =8.6 mg/kg and a plasma EC 50 of 0.85 μM in this model . Form:Solid IC50& Target:IC50: 3.0 nM (11β-HSD1)

生化机理

BMS-816336 是一种新型、强效、口服生物活性抑制剂，可抑制人 11β- 羟类固醇脱氢酶 1 型（11β-HSD1），其 IC 50 为 3.0 nM。

CAS号

1009583-20-3

分子式

C21H27NO3

分子量

341.44 g/mol

PubChem编号

59336911

Isomeric SMILES

C1C2CC3CC(C2O)CC1C3(CC(=O)N4CC(C4)O)C5=CC=CC=C5

IIUPAC Name

1-(3-hydroxyazetidin-1-yl)-2-(6-hydroxy-2-phenyl-2-adamantyl)ethanone

INCHI

1S/C21H27NO3/c23-18-11-22(12-18)19(24)10-21(15-4-2-1-3-5-15)16-6-13-7-17(21)9-14(8-16)20(13)25/h1-5,13-14,16-18,20,23,25H,6-12H2

InChi Key

OAAZMUGLOXGVNH-UHFFFAOYSA-N

Smiles

C1C2CC3CC(C2O)CC1C3(CC(=O)N4CC(C4)O)C5=CC=CC=C5

PubChem CID

59336911

关联CAS

1009365-98-3,1009583-20-3

MeSH Entry Terms

2-(2-phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone;BMS-816336

溶解性

DMSO : 300 mg/mL (878.63 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

341.199 Da

单同位素质量Monoisotopic Mass

341.199 Da

拓扑极表面积Topological Polar Surface Area

60.800 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

505.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

1.700

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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