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名称
BMS-816336
分子类型
小分子
英文别名
UNII-HLF8J24L87 | 1009365-98-3 | (Rac)-BMS-816336 | MS-25220 | SCHEMBL13216606 | 1009583-20-3 | Ethanone, 1-(3-hydroxy-1-azetidinyl)-2-(6-hydroxy-2-phenyltricyclo(3.3.1.13,7)dec-2-yl)- | 1009583-83-8 | AKOS040736521 | AKOS040736096 | 1-(3-hydroxyazetidin-
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
2
氢键受体数Hydrogen Bond Acceptor Count
3
可旋转键计数Rotatable Bond Count
3
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 Ų
重原子数Heavy Atom Count
25
形式电荷Formal Charge
0
复杂度Complexity
505.000
同位素原子数Isotope Atom Count
0
共价键合单元计数Covalently-Bonded Unit Count
1
XLogP3
1.700
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BMS-816336 5mg
品牌：阿拉丁
货号：B647971-5mg
级别： ≥99%
货期：30天
已售 654 件
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