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2226-71-3

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Basic Information
CAS No.: 2226-71-3
Name: [3-hydroxy-2,2-dimethyl-3-[2-(2-sulfanylethylcarbamoyl)ethylcarbamoyl]propoxy]phosphonic acid
Article Data: 6
Molecular Structure:
Molecular Structure of 2226-71-3 ([3-hydroxy-2,2-dimethyl-3-[2-(2-sulfanylethylcarbamoyl)ethylcarbamoyl]propoxy]phosphonic acid)
Formula: C11H23 N2 O7 P S
Molecular Weight: 358.353
Synonyms: Butanamide,2-hydroxy-N-[3-[(2-mercaptoethyl)amino]-3-oxopropyl]-3,3-dimethyl-4-(phosphonooxy)-,(R)-; Butyramide,2,4-dihydroxy-N-[2-(2-mercaptoethylcarbamoyl)ethyl]-3,3-dimethyl-, 4-phosphate(6CI); 4'-Phosphopantetheine; D-Pantetheine 4'-phosphate; Pantetheinephosphate; Phosphopantetheine
Density: 1.381g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
PSA: 200.78000
LogP: 0.71570
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Synthetic route
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2226-71-3

D‐pantetheine 4'‐phosphate

Conditions
ConditionsYield
(i) ClPO(OCH2Ph)2, benzene, (ii) aq. AcOH, (iii) Na, liq. NH3; Multistep reaction;
Multi-step reaction with 2 steps
1: tris-(2-carboxyethyl)-phosphine hydrochloride; potassium chloride; magnesium chloride / aq. buffer / pH 7.5 / Inert atmosphere
2: potassium chloride; magnesium chloride; ATP; pantetheine kinase / aq. buffer / 2 h / 20 °C / pH 7.5 / Inert atmosphere; Enzymatic reaction
View Scheme
With Escherichia coli CoaA enzyme; ATP at 20℃; Enzymatic reaction;

D-Pantothenonitril-4'-phosphat

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Cysteamine

2226-71-3

D‐pantetheine 4'‐phosphate

Conditions
ConditionsYield
(i) MeOH, (ii) oxalic acid, H2O; Multistep reaction;
138148-35-3, 141630-68-4, 16816-67-4

D-pantethine

chlorophosphonic acid dibenzyl ester

chlorophosphonic acid dibenzyl ester

2226-71-3

D‐pantetheine 4'‐phosphate

Conditions
ConditionsYield
With pyridine at -40℃; Behandeln des Reaktionsprodukts mit Natrium und fluessigem NH3;
55512-69-1, 84256-02-0, 496-65-1

pantetheine

2226-71-3

D‐pantetheine 4'‐phosphate

Conditions
ConditionsYield
With pyruvate kinase; E. coli coenzyme AA; ATP; magnesium chloride In various solvent(s) at 20℃; pH=6.0; Kinetics;
With pantetheine kinase; potassium chloride; ATP; magnesium chloride In aq. buffer at 20℃; for 2h; pH=7.5; Inert atmosphere; Enzymatic reaction;
599-04-2

(R)-Pantolacton

2226-71-3

D‐pantetheine 4'‐phosphate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: triethylamine / ethanol / Inert atmosphere; Reflux
2: tris-(2-carboxyethyl)-phosphine hydrochloride; potassium chloride; magnesium chloride / aq. buffer / pH 7.5 / Inert atmosphere
3: potassium chloride; magnesium chloride; ATP; pantetheine kinase / aq. buffer / 2 h / 20 °C / pH 7.5 / Inert atmosphere; Enzymatic reaction
View Scheme
2226-71-3

D‐pantetheine 4'‐phosphate

56-65-5

ATP

3633-59-8

3′-dephospho-coenzyme A

Conditions
ConditionsYield
With pyruvate kinase; human phosphopantethiene adenylyltransferase; magnesium chloride In various solvent(s) at 20℃; pH=6.0;
With phosphopantetheine adenyltransferase; potassium chloride; magnesium chloride In aq. buffer at 20℃; pH=7.5; Inert atmosphere; Enzymatic reaction;
2226-71-3

D‐pantetheine 4'‐phosphate

C21H35N7O16P3S

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: human phosphopantethiene adenylyltransferase; MgCl2; pyruvate kinase / various solvent(s) / 20 °C / pH 6.0
2: human dephosphocoenzyme A kinase; ATP; pyruvate kinase / MgCl2 / various solvent(s) / 20 °C / pH 6.0
View Scheme
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