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Product details

名称

hGPR91 antagonist 1

分子类型

小分子

别名

hGPR91 拮抗剂 1

英文名称

hGPR91 antagonist 1

货号

H649521-5mg

包装规格

5mg

浓度

≥98%

储存温度

-20°C储存

运输条件

超低温冰袋运输

产品介绍

HGPR91 antagonist 1 is a potent and selective small molecule hGPR91 antagonist with an IC 50 of 7 μM In Vivo HGPR91 antagonist 1 leads to 59, 76% inhibition of ΔMAP at 2, 4 hours and has shown rat plasma protein binding 99%. HGPR91 antagonist 1 has engaged the target under the in vivo condition. HGPR91 antagonist 1 has clearance (CL) of 0.2 nmol/min/mg of RLM . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Wistar rats Dosage: 100 mg/kg Administration: I.p.; 2 and 4 hours Result: Led to 59 and 76% inhibition of ΔMAP at 2 and 4 hours. Form:Solid IC50& Target:IC50: 7 μM (HGPR91)

生化机理

HGPR91 拮抗剂 1 是一种强效的选择性小分子 hGPR91 拮抗剂，其 IC 50 为 7 μM。

CAS号

1314796-00-3

分子式

C31H23F4N3O

分子量

529.53 g/mol

PubChem编号

53358775

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)C2=CC(=C(C=C2)F)C(F)(F)F)NC(=O)CC3=CC=C(C=C3)C4=NC5=C(C=CC=N5)C=C4

IIUPAC Name

N-[(1S)-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]ethyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide

INCHI

1S/C31H23F4N3O/c1-19(21-8-10-22(11-9-21)25-12-14-27(32)26(18-25)31(33,34)35)37-29(39)17-20-4-6-23(7-5-20)28-15-13-24-3-2-16-36-30(24)38-28/h2-16,18-19H,17H2,1H3,(H,37,39)/t19-/m0/s1

InChi Key

SSQLYMLUWZAJTK-IBGZPJMESA-N

Smiles

CC(C1=CC=C(C=C1)C2=CC(=C(C=C2)F)C(F)(F)F)NC(=O)CC3=CC=C(C=C3)C4=NC5=C(C=CC=N5)C=C4

PubChem CID

53358775

溶解性

DMSO : ≥ 125 mg/mL (236.06 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

529.178 Da

单同位素质量Monoisotopic Mass

529.178 Da

拓扑极表面积Topological Polar Surface Area

54.900 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

793.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

6.800

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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