1679333-73-3|MMV008138|MMV008138|-范德生物科技公司

MMV008138

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names：
MMV008138
CAS号：
1679333-73-3
MDL Number：
MF(分子式)： C18H14Cl2N2O2 MW(分子量)： 361.22
EINECS: Reaxys Number:
Pubchem ID:987146 Brand:BIOFOUNT

MMV008138(1679333-73-3) 是一种选择性 2-C-甲基-d-赤藓糖醇4-磷酸胞苷酰转移酶 (IspD) 靶向抗疟药，MMV008138 抑制恶性疟原虫 Dd2 虫株的生长。

货品编码	规格	纯度	价格 (¥)	现价(¥)	特价(¥)	库存描述	数量	总计 (¥)
YZM000824-10mg	10mg	98%	¥ 7590.00	¥ 7590.00		2-3天	- +	¥ 0.00
YZM000824-5mg	5mg	98%	¥ 4460.00	¥ 4460.00		2-3天	- +	¥ 0.00

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中文别名	MMV008138(1679333-73-3)
英文别名	MMV008138,1679333-73-3
CAS号	1679333-73-3
SMILES	O=C([C@@H]1CC2=C([C@@H](C3=CC=C(Cl)C=C3Cl)N1)NC4=C2C=CC=C4)O
Inchi	InChI = 1S / C18H14Cl2N2O2 / c19-9-5-6-11（13（20）7-9）16-17-12（8-15（22-16）18（23）24）10-3-1- 2-4-14（10）21-17 / h1-7,15-16,21-22H，8H2，（H，23,24）/ t15-，16 + / m0 / s1
InchiKey	ZJDRIKAAFJMYGX-JKSUJKDBSA-N
分子式 Formula	C18H14Cl2N2O2
分子量 Molecular Weight	361.22
闪点 FP	No data available
熔点 Melting point	No data available
沸点 Boiling point	577.9±50.0 °C(Predicted)
Polarizability极化度	No data available
密度 Density	1.473±0.06 g/cm3(Predicted)
蒸汽压 Vapor Pressure	No data available
溶解度Solubility	生物体外In Vitro:DMSO溶解度125 mg/mL(346.05 mM;Need ultrasonic)
性状	浅黄色至黄色固体粉末
储藏条件 Storage conditions	存放在阴凉干燥处，短期（数天至数周）在0-4℃，长期（数月至数年）在-20℃。

MMV008138(CAS:1679333-73-3)实验注意事项：
1.实验前需戴好防护眼镜，穿戴防护服和口罩，佩戴手套，避免与皮肤接触。
2.实验过程中如遇到有毒或者刺激性物质及有害物质产生，必要时实验操作需要手套箱内完成以免对实验人员造成伤害
3.实验后产生的废弃物需分类存储，并交于专业生物废气物处理公司处理，以免造成环境污染Experimental considerations:
1. Wear protective glasses, protective clothing and masks, gloves, and avoid contact with the skin during the experiment.
2. The waste generated after the experiment needs to be stored separately, and handed over to a professional biological waste gas treatment company to avoid environmental pollution.

产品说明	MMV008138(1679333-73-3) 是一种选择性 2-C-甲基-d-赤藓糖醇4-磷酸胞苷酰转移酶?(IspD)?靶向抗疟药。
Introduction	MMV008138(1679333-73-3) is a selective 2-C-methyl-d-erythritol 4-phosphocytyltransferase (IspD) targeted antimalarial drug.
Application1
Application2
Application3

警示图
危险性	warning
危险性警示	Not available
安全声明	H303吞入可能有害+H313皮肤接触可能有害+H2413吸入可能对身体有害
安全防护	P264处理后彻底清洗+P280戴防护手套/穿防护服/戴防护眼罩/戴防护面具+P305如果进入眼睛+P351用水小心冲洗几分钟+P338取出隐形眼镜（如果有）并且易于操作,继续冲洗+P337如果眼睛刺激持续+P2393获得医疗建议/护理
备注	实验过程中防止吸入、食入，做好安全防护

Biological Studies and Target Engagement of the 2- C-Methyl-d-Erythritol 4-Phosphate Cytidylyltransferase (IspD)-Targeting Antimalarial Agent (1 R,3 S)-MMV008138 and Analogs PMID 29072835;

Plasmodium IspD (2-C-Methyl-D-erythritol 4-Phosphate Cytidyltransferase), an Essential and Druggable Antimalarial Target PMID 26783558; ACS infectious diseases 2015 Apr; 1(4):157-167

Deciphering the role of IspD (2?C?methyl?D?erythritol 4?phosphate cytidyltransferase) enzyme as a potential therapeutic drug target against Plasmodium vivax PMID 29958953; Gene 2018 Oct; 675(?):240-25

Biological Studies and Target Engagement of the 2- C-Methyl-d-Erythritol 4-Phosphate Cytidylyltransferase (IspD)-Targeting Antimalarial Agent (1 R,3 S)-MMV008138 and Analogs PMID 29072835

Probing the B- & C-rings of the antimalarial tetrahydro-β-carboline MMV008138 for steric and conformational constraints PMID 32898696; Bioorganic & medicinal chemistry letters 2020 Sep; ?(?):127520

Biological Studies and Target Engagement of the 2- C-Methyl-d-Erythritol 4-Phosphate Cytidylyltransferase (IspD)-Targeting Antimalarial Agent (1 R,3 S)-MMV008138 and Analogs
Abstract:Malaria continues to be one of the deadliest diseases worldwide, and the emergence of drug resistance parasites is a constant threat. Plasmodium parasites utilize the methylerythritol phosphate (MEP) pathway to synthesize isopentenyl pyrophosphate (IPP) and dimethylallyl pyrophosphate (DMAPP), which are essential for parasite growth. Previously, we and others identified that the Malaria Box compound MMV008138 targets the apicoplast and that parasite growth inhibition by this compound can be reversed by supplementation of IPP. Further work has revealed that MMV008138 targets the enzyme 2- C-methyl-d-erythritol 4-phosphate cytidylyltransferase (IspD) in the MEP pathway, which converts MEP and cytidine triphosphate (CTP) to cytidinediphosphate methylerythritol (CDP-ME) and pyrophosphate. In this work, we sought to gain insight into the structure-activity relationships by probing the ability of MMV008138 analogs to inhibit PfIspD recombinant enzyme. Here, we report PfIspD inhibition data for fosmidomycin (FOS) and 19 previously disclosed analogs and report parasite growth and PfIspD inhibition data for 27 new analogs of MMV008138. In addition, we show that MMV008138 does not target the recently characterized human IspD, reinforcing MMV008138 as a prototype of a new class of species-selective IspD-targeting antimalarial agents.

Yao ZK, et al. Determination of the active stereoisomer of the MEP pathway-targeting antimalarial agent MMV008138, and initial structure-activity studies. Bioorg Med Chem Lett. 2015 Apr 1;25(7):1515-9.
Abstract:Compounds that target isoprenoid biosynthesis in Plasmodium falciparum could be a welcome addition to malaria chemotherapy, since the methylerythritol phosphate (MEP) pathway used by the parasite is not present in humans. We previously reported that MMV008138 targets the apicoplast of P. falciparum and that its target in the MEP pathway differs from that of Fosmidomycin. In this Letter, we determine that the active stereoisomer of MMV008138 is 4a, which is (1R,3S)-configured. 2',4'-Disubstitution of the D ring was also found to be crucial for inhibition of the parasite growth. Limited variation of the C3-carboxylic acid substituent was carried out, and methylamide derivative 8a was found to be more potent than 4a; other amides, acylhydrazines, and esters were less potent. Finally, lead compounds 4a, 4e, 4f, 4h, 8a, and 8e did not inhibit growth of Escherichia coli, suggesting that protozoan-selective inhibition of the MEP pathway of P. falciparum can be achieved.

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