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Product details

名称

JNJ-42226314

分子类型

小分子

英文名称

JNJ-42226314

货号

J646666-5mg

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

JNJ-42226314 is a competitive, highly selective and reversible non-covalent monoacylglycerol lipase (MAGL) inhibitor. JNJ-42226314 demonstrates dose-dependent enhancement of the major endocannabinoid 2-arachidonoylglycerol (2-AG) as well as efficacy in models of neuropathic and inflammatory pain. In Vitro JNJ-42226314 has IC 50 s of 1.13 nM, 1.88 nM, 0.67 nM, 0.97 nM for human Hela cells, human PBMC, mouse brain and rat brain, respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo JNJ-42226314 (i.p.; 3 mg/kg and 30 mg/kg; 120 min) dose-dependently elevates hippocampal 2-AG in vivo . JNJ-42226314 (i.p.; 30 mg/kg)significantly increases total wake time for up to 8 hours afterward, whereas total wake time was only elevated for 2 hr following a 3 mg/kg dose . JNJ-42226314 (i.p.; 30 mg/kg) is antinociceptive in the rat complete Freund’s adjuvant (CFA) model of inflammatory pain . JNJ-42226314 has t 1/2 values of 11.4, 27.6, 27.2 min for MAGL in human, mouse and rat, respectively . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Male C57Bl/6 mice weighing 20-30g and male Sprague-Dawley rats weighing 300-400 g Dosage: 3 mg/kg and 30 mg/kg Administration: i.p.; 120 min Result: Dose-dependently elevated hippocampal 2-AG in vivo. Form:Solid

生化机理

JNJ-42226314 是一种竞争性、高选择性和可逆的非共价单酰基甘油脂肪酶 (MAGL) 抑制剂。JNJ-42226314 能剂量依赖性地增强主要内源性大麻素-2-丙烯酰甘油（2-AG）的活性，并能有效地抑制单乙酰甘油脂肪酶（MAGL）的活性。

CAS号

1252765-13-1

分子式

C26H24FN5O2S

分子量

489.56 g/mol

PubChem编号

59625954

Isomeric SMILES

C1CN(CCN1C2CN(C2)C(=O)C3=CC4=C(C=C3)N(C=C4)C5=CC=C(C=C5)F)C(=O)C6=NC=CS6

IIUPAC Name

[1-(4-fluorophenyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone

INCHI

1S/C26H24FN5O2S/c27-20-2-4-21(5-3-20)32-9-7-18-15-19(1-6-23(18)32)25(33)31-16-22(17-31)29-10-12-30(13-11-29)26(34)24-28-8-14-35-24/h1-9,14-15,22H,10-13,16-17H2

InChi Key

IVOACCSOISMVBL-UHFFFAOYSA-N

Smiles

C1CN(CCN1C2CN(C2)C(=O)C3=CC4=C(C=C3)N(C=C4)C5=CC=C(C=C5)F)C(=O)C6=NC=CS6

PubChem CID

59625954

溶解性

DMSO : 250 mg/mL (510.66 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

489.163 Da

单同位素质量Monoisotopic Mass

489.163 Da

拓扑极表面积Topological Polar Surface Area

89.900 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

782

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

3.4

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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