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ML324,JMJD2抑制剂

ML324,JMJD2抑制剂

强大的细胞可渗透JMJD2抑制剂

规格或纯度: 98% (HPLC)

CAS编号: 1222800-79-4
分子式: C₂₁H₂₃N₃O₂
分子量: 349.43
PubChem编号: 44143209

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货号 (SKU)	包装规格	是否现货
M166588-5mg	5mg	现货
M166588-10mg	10mg	现货
M166588-25mg	25mg	现货
M166588-50mg	50mg	现货
M166588-100mg	100mg	现货

查看相关系列

lysine demethylase 4A Inhibitor lysine demethylase 4E Inhibitor

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基本描述

规格或纯度	98% (HPLC)
英文名称	ML324
英文别名	N-(3-(Dimethylamino)propyl)-4-(8-hydroxyquinolin-6-yl)benzamide
生化机理	有力的，细胞可渗透的JMJD2抑制剂（IC 50 = 920 nM）。显示抗病毒作用（IC 50 = 10μM），HSV-1立即早期基因表达）。在体内可逆地阻止人巨细胞病毒感染。
储存温度	2-8°C储存
运输条件	冰袋运输
备注	如果有可能，您尽量在使用的当天配置溶液，并在当天使用完它。但是，如果您需要预先配制储备溶液，我们建议您将溶液等份保存在-20°C的密封小瓶中。通常，它们最多可以使用一个月。在使用前和打开样品瓶之前，我们建议您让您的产品在室温下平衡至少1小时。需要更多关于溶解度，用法和处理的建议吗？请访问我们的常见问题（FAQ）页面以获取更多详细信息。

名称和标识符

IUPAC Name	N-[3-(dimethylamino)propyl]-4-(8-hydroxyquinolin-6-yl)benzamide
INCHI	InChI=1S/C21H23N3O2/c1-24(2)12-4-11-23-21(26)16-8-6-15(7-9-16)18-13-17-5-3-10-22-20(17)19(25)14-18/h3,5-10,13-14,25H,4,11-12H2,1-2H3,(H,23,26)
InChi Key	QDBVSOZTVKXUES-UHFFFAOYSA-N
Canonical SMILES	CN(C)CCCNC(=O)C1=CC=C(C=C1)C2=CC(=C3C(=C2)C=CC=N3)O
分子式	C₂₁H₂₃N₃O₂
PubChem CID	44143209
分子量	349.43

数据库链接

PubChem CID	44143209
ChEMBL Ligand	CHEMBL1398529
BindingDB Ligand	79334
CAS Registry No.	1222800-79-4

化学和物理性质

溶解性	DMSO: 10 mg/mL, clear

安全信息

象形图	Harmful
信号词	Warning
危险声明	H302: Harmful if swallowed
预防措施声明	P501,P264,P270,P330,P301+P317
WGK Germany	3

靶标

Target ID

2675

名称

lysine demethylase 4A

缩写名

SHP2

家族

1.14.11.- Histone demethylases

基因和蛋白信息

Species	Transmembrane Domains	Amino Acids	Chromosomal Location	Gene Symbol	Gene Name
Human	2	1064	1p34.2-p34.1	KDM4A	lysine demethylase 4A
Mouse	2	1064	4 54.31 cM	Kdm4a	lysine (K)-specific demethylase 4A
Rat	2	971	5q36	Kdm4a	lysine demethylase 4A

RefSeq Protein

NP_055478 (Hs) , NP_001155295 (Mm) , NP_001101436 (Rn)

RefSeq Nucleotide

NM_014663 (Hs) , NM_001161823 (Mm) , NM_001107966 (Rn)

Entrez Gene

9682 (Hs) , 230674 (Mm) , 313539 (Rn)

UniProtKB

O75164 (Hs) , Q8BW72 (Mm)

Ensembl Gene

ENSG00000066135 (Hs) , ENSMUSG00000033326 (Mm) , ENSRNOG00000019956 (Rn)

OMIM

609764 (Hs)

Protein GI

98986459 (Hs) , 240120089 (Mm) , 157822345 (Rn)

CATH/Gene3D

3.30.40.10 (N/A)

ChEMBL Target

CHEMBL5896 (Hs)

Target ID

2679

名称

lysine demethylase 4E

缩写名

SHP2

家族

1.14.11.- Histone demethylases

基因和蛋白信息

Species	Transmembrane Domains	Amino Acids	Chromosomal Location	Gene Symbol	Gene Name
Human	2	506	11q21	KDM4E	lysine demethylase 4E

RefSeq Protein

NP_001155102 (Hs)

RefSeq Nucleotide

NM_001161630 (Hs)

Entrez Gene

390245 (Hs)

UniProtKB

B2RXH2 (Hs)

Ensembl Gene

ENSG00000235268 (Hs)

Protein GI

256017129 (Hs)

ChEMBL Target

CHEMBL1293226 (Hs)

关联配体

Ligand ID	9584
名称	ML324
别名	ML-324
类别	Synthetic organic
学名	N-[3-(dimethylamino)propyl]-4-(8-hydroxyquinolin-6-yl)benzamide
生物活性评价	ML324 shows comparable activity between KDM4A and KDM4E (also known as JMJD2A and JMJD2E respectively). It is active in vitro and has a favourable ADME profile. Original reports of its discovery describe its antiviral activity . In P. falciparum, ML324 is significantly more potent against late-stage gametocytes (IC₅₀ of 77 nM) than the asexual blood stage parasite (IC₅₀ of >5 μM) .
评价	ML324 is a cell-permeable, small molecule inhibitor of lysine demethylase 4 (KDM4) family of histone modifying enzymes . KDM4 demethylases are responsible for the removal of H3K9 trimethylation marks from histones. The family members exhibit substantial mechanistic redundancy . ML324 demonstrates antiviral activity and is one of the chemotypes included in the Medicines for Malaria Pandemic Response Box (MMV PRB). The compound also has antimalarial activity. The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY.
配体家族	Antimalarial ligands

参考文献

1. Whetstine JR, Nottke A, Lan F, Huarte M, Smolikov S, Chen Z, Spooner E, Li E, Zhang G, Colaiacovo M et al.. (2006) Reversal of histone lysine trimethylation by the JMJD2 family of histone demethylases.. Cell, 125 (3): (467-81). [PMID:16603238]
2. Rai G, Kawamura A, Tumber A, Liang Y, Vogel JL, Arbuckle JH, Rose NR, Dexheimer TS, Foley TL, King ON et al.. (2010) Discovery of ML324, a JMJD2 demethylase inhibitor with demonstrated antiviral activity. Probe Reports from the NIH Molecular Libraries Program, 71 (13): (1755-70). [PMID:24260783]
3. Reader J, van der Watt ME, Taylor D, Le Manach C, Mittal N, Ottilie S, Theron A, Moyo P, Erlank E, Nardini L et al.. (2021) Multistage and transmission-blocking targeted antimalarials discovered from the open-source MMV Pandemic Response Box.. Nat Commun, 12 (1): (269). [PMID:33431834]
4. Matthews KA, Senagbe KM, N?tzel C, Gonzales CA, Tong X, Rijo-Ferreira F, Bhanu NV, Miguel-Blanco C, Lafuente-Monasterio MJ, Garcia BA et al.. (2020) Disruption of the Plasmodium falciparum Life Cycle through Transcriptional Reprogramming by Inhibitors of Jumonji Demethylases.. ACS Infect Dis, 6 (5): (1058-1075). [PMID:32272012]