1-deoxy-D-xylulose 5-phosphate

Base Information

• Chemical Name: 1-deoxy-D-xylulose 5-phosphate
• CAS No.: 190079-18-6
• Molecular Formula: C5H11 O7 P
• Molecular Weight: 214.112
• UNII: I4C288B3TN
• DSSTox Substance ID: DTXSID90940547
• Nikkaji Number: J866.535D
• Wikipedia: 1-Deoxy-D-xylulose_5-phosphate
• Wikidata: Q2708025
• Metabolomics Workbench ID: 37667
• ChEMBL ID: CHEMBL1232414
• Mol file: 190079-18-6.mol

Synonyms:1-deoxy-D-xylulose 5-phosphate;1-deoxylulose 5-phosphate

Chemical Property of 1-deoxy-D-xylulose 5-phosphate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 528.9°Cat760mmHg
• PKA: 1.82±0.10(Predicted)
• Flash Point: 273.7°C
• PSA: 134.10000
• Density: 1.653g/cm³
• LogP: -1.59350
• Storage Temp.: ?20°C
• XLogP3: -3.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 214.02423968
• Heavy Atom Count: 13
• Complexity: 221

Purity/Quality:

99% ^*data from raw suppliers

1-Deoxy-D-xylulose 5-phosphate Sodium Salt ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C(C(COP(=O)(O)O)O)O
• Isomeric SMILES: CC(=O)[C@H]([C@@H](COP(=O)(O)O)O)O
• Uses: 1-Deoxy-D-xylulose 5-Phosphate is a precursor metabolite of the 2C-Methyl-D-erythritol-4-phosphate (MEP) pathway, from the simple and renewable starting materials D-arabinose and hydroxyacetone.

Technology Process of 1-deoxy-D-xylulose 5-phosphate

There total 3 articles about 1-deoxy-D-xylulose 5-phosphate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 83.2%

D-glyceraldehyde-3-phosphate (591-57-1) + sodium pyruvate (113-24-6) → Phosphoric acid mono-((2R,3S)-2,3-dihydroxy-4-oxo-pentyl) ester (190079-18-6)

Guidance literature:

With tris hydrochloride; thiamine diphosphate; sodium hydroxide; magnesium chloride; D,L-dithiothreitol; 1-deoxy-D-xylulose 5-phosphate synthase; at 37 ℃; pH=7.5; stereoselective reaction; Enzymatic reaction;

DOI:10.1002/hlca.200900441

Reference yield:

D-glyceraldehyde-3-phosphate (591-57-1) + piruvate (57-60-3) → Phosphoric acid mono-((2R,3S)-2,3-dihydroxy-4-oxo-pentyl) ester (190079-18-6)

Guidance literature:

With tris(2-carboxyethyl)phosphine; thiamine diphosphate; sodium chloride; magnesium chloride; bovine serum albumin; 1-deoxy-D-xylulose 5-phosphate synthase; at 37 ℃; pH=8; Kinetics; aq. phosphate buffer; Enzymatic reaction;

DOI:10.1021/ol901961q

Reference yield:

D-glyceraldehyde-3-phosphate (591-57-1) + 2-oxo-propionic acid (127-17-3) → Phosphoric acid mono-((2R,3S)-2,3-dihydroxy-4-oxo-pentyl) ester (190079-18-6)

Guidance literature:

With DPX synthase; thiamine diphosphate; Enzymatic reaction;

DOI:10.1016/S0040-4039(99)02143-7

upstream raw materials:

D-glyceraldehyde-3-phosphate

2-oxo-propionic acid

piruvate

sodium pyruvate

Downstream raw materials:

2-C-methyl-D-erythritol 4-phosphate

5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridylmethyl dihydrogen phosphate

2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate

Refernces

DXP synthase-catalyzed c-n bond formation: Nitroso substrate specificity studies guide selective inhibitor design

10.1002/cbic.201300187

The research study on DXP Synthase-Catalyzed C-N Bond Formation, which is crucial for the selective inhibitor design targeting the enzyme DXP synthase. The purpose of the study was to understand the substrate specificity of DXP synthase, particularly its affinity for aromatic nitroso substrates, and to explore its potential as a drug target for anti-infective agents. The researchers discovered that DXP synthase has a high affinity for aromatic nitroso substrates, which are more reactive than their aldehyde counterparts, and that it can catalyze the formation of C-N bonds to generate aromatic hydroxamic acids or amides. They also found that DXP synthase has a larger active site compared to related enzymes like pyruvate dehydrogenase (PDH), which allows it to accommodate sterically demanding substrates. The study concluded that incorporating aryl acceptor substrate mimics into unnatural bisubstrate analogues could lead to selective inhibitors of DXP synthase. Key chemicals used in the process include 1-deoxy-d-xylulose 5-phosphate (DXP), pyruvate, d-glyceraldehyde 3-phosphate (d-GAP), thiamin diphosphate (ThDP), and various aromatic nitroso substrates such as nitrosobenzene and nitrosonaphthols. The researchers also synthesized benzylacetylphosphonate (BnAP) as a potential selective inhibitor of DXP synthase, demonstrating its effectiveness in inhibiting the enzyme with higher selectivity compared to PDH.

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