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Product details

名称

GNE-272

分子类型

小分子

英文名称

GNE-272

货号

G647516-5mg

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

GNE-272 is a potent and selective CBP/EP300 inhibitor with IC 50 values of 0.02, 0.03 and 13 μM for CBP, EP300 and BRD4 , respectively. GNE-272 is also a selective in vivo probe for CBP/EP300 In Vitro GNE-272 is exquisitely selective for CBP/ EP300 and remarkably selective (650-fold) over BRD4. When tested at 10 μM in 35 kinase panel and 42 receptors off-target screening panel, GNE-272 does not inhibit any target at >30%. In addition, GNE-272 does not inhibit (>10 μM, top concentration) several cytochrome P450s (3A4, 1A2, 2C9, 2C19, 2D6). The compound has good potency in the BRET cellular assay. In an orthogonal measure of the target engagement, GNE-272 is shown to inhibit the expression of MYC10 (MV4−11 cell line) with an EC 50 of 0.91 μM and good correlation between the BRET and MYC cellular assays is observed. MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo GNE-272 demonstrates low clearance following a 1 mg/ kg intravenous dose in a mouse PK experiment and good oral bioavailability when dosed at 100 mg/kg, reaching an unbound C max of 26 μM. GNE-272 shows a marked antiproliferative effect in hematologic cancer cell lines and modulates MYC expression in vivo that corresponds with antitumor activity in an AML tumor model . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:IC50: 0.02 μM (CBP), 0.03 μM (EP300), 13 μM (BRD4)

生化机理

GNE-272 是一种强效的 CBP/EP300 选择性抑制剂，对 CBP、EP300 和 BRD4 的 IC 50 值分别为 0.02、0.03 和 13 μM。GNE-272 还是 CBP/EP300 的选择性体内探针。

CAS号

1936428-93-1

分子式

C22H25FN6O2

分子量

424.47 g/mol

PubChem编号

121372887

Isomeric SMILES

CC(=O)N1CCC2=C(C1)C(=NN2[C@H]3CCOC3)NC4=C(C=C(C=C4)C5=CN(N=C5)C)F

IIUPAC Name

1-[3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

INCHI

1S/C22H25FN6O2/c1-14(30)28-7-5-21-18(12-28)22(26-29(21)17-6-8-31-13-17)25-20-4-3-15(9-19(20)23)16-10-24-27(2)11-16/h3-4,9-11,17H,5-8,12-13H2,1-2H3,(H,25,26)/t17-/m0/s1

InChi Key

NKOJNOBJGYTLLZ-KRWDZBQOSA-N

Smiles

CC(=O)N1CCC2=C(C1)C(=NN2C3CCOC3)NC4=C(C=C(C=C4)C5=CN(N=C5)C)F

PubChem CID

121372887

溶解性

DMSO : 100 mg/mL (235.59 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

424.202 Da

单同位素质量Monoisotopic Mass

424.202 Da

拓扑极表面积Topological Polar Surface Area

77.200 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

655.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

1.500

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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