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Product details

名称

KDM5A-IN-1

分子类型

小分子

英文名称

KDM5A-IN-1

货号

K649083-5mg

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

KDM5A-IN-1 is a potent, orally bioavailable pan- histone lysine demethylases 5 (KDM5) inhibitor with IC 50 s of 45 nM, 56 nM and 55 nM for KDM5A , KDM5B and KDM5C , respectively, and with an EC 50 value of 960 nM for PC9 H3K4Me3. KDM5A-IN-1 is significantly less potent against other KDM5B enzymes (1A, 2B, 3B, 4C, 6A, 7B) In Vivo KDM5A-IN-1 (Compound 50, 5 mg/kg; oral administration; female CD-1 mice) treatment shows moderate clearance (28 mL/min/kg) in mice with good oral bioavailability (F% 34) and remarkably low plasma protein binding in mice (40%), with t 1/2 of 0.4 hours . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Female CD-1 mice Dosage: 5 mg/kg Administration: Oral administration (Pharmacokinetic study) Result: Moderate clearance (28 mL/min/kg) in mice with good oral bioavailability (F% 34), and showed remarkably low plasma protein binding in mice (40%). Form:Solid IC50& Target:IC50: 45 nM ( KDM5A ), 56 nM ( KDM5B ) and 55 nM ( KDM5C )

生化机理

KDM5A-IN-1 是一种口服生物活性泛组蛋白赖氨酸去甲基化酶 5 (KDM5) 抑制剂，对 KDM5A、KDM5B 和 KDM5C 的 IC 50 s 分别为 45 nM、56 nM 和 55 nM，对 PC9 H3K4Me3 的 EC 50 值为 960 nM。KDM5A-IN-1 对 PC9 H3K4Me3

CAS号

1905481-36-8

分子式

C15H22N4O2

分子量

290.36 g/mol

PubChem编号

119081409

Isomeric SMILES

CC(C)C1=CC(=NN1)C(=O)N2CC[C@H](C2)NC(=O)C3CC3

IIUPAC Name

N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide

INCHI

1S/C15H22N4O2/c1-9(2)12-7-13(18-17-12)15(21)19-6-5-11(8-19)16-14(20)10-3-4-10/h7,9-11H,3-6,8H2,1-2H3,(H,16,20)(H,17,18)/t11-/m1/s1

InChi Key

CXEXTVGTDZRKJS-LLVKDONJSA-N

Smiles

CC(C)C1=CC(=NN1)C(=O)N2CCC(C2)NC(=O)C3CC3

PubChem CID

119081409

溶解性

DMSO : ≥ 50 mg/mL (172.20 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

290.174 Da

单同位素质量Monoisotopic Mass

290.174 Da

拓扑极表面积Topological Polar Surface Area

78.100 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

422

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

1.1

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

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「No technical documents」

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「No related articles yet」

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