Molecular Details

DICL_CP_0317062 - (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0317062

PubChem CID

1051 38882

Molecular Formula

C₈H₁₀NO₆P

Molecular Weight

247.143 g/mol

Synonyms/Alias

[pyridoxal phosphate; 54-47-7; Codecarboxylase; pyridoxal 5-phosphate; pyridoxal 5-phosphate; Pyridoxal P; Pyridoxyl phosphate; Pyridoxal-5-phosphate; (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl d...[pyridoxal phosphate; 54-47-7; Codecarboxylase; pyridoxal 5-phosphate; pyridoxal 5-phosphate; Pyridoxal P; Pyridoxyl phosphate; Pyridoxal-5-phosphate; (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate; Biosechs; Hairoxal; Pidopidon; Pyromijin; Vitazechs; Hiadelon; Himitan; Phosphopyridoxal; Sechvitan; Pydoxal; Piodel; Apolon B6; HI-Pyridoxin; Pal-P; PYRIDOXAL-5-PHOSPHATE; 853645-22-4; pyridoxal-P; Phosphopyridoxal coenzyme; Vitahexin P; Hexermin P; Coenzyme B6; Pyridoxal monophosphate; Pyridoxaldehyde phosphate; Apolon B(sub 6); Phosphoridoxal coenzyme; PLP; pyridoxal-5P; Pyridoxal 5-(dihydrogen phosphate); Pyridoxal 5-monophosphoric acid ester; Pyridoxal 5-phosphate hydrate; Vitamin B6 phosphate; Vitahexin-P; Hexermin-P; Pyridoxal phosphate [JAN]; 3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinecarboxaldehyde; 4-Pyridinecarboxaldehyde; 3-hydroxy-2-methyl-5-((phosphonooxy)methyl)-; 3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinecarboxaldehyde; Pyridoxal 5/-phosphate (hydrate); Pyridoxal; 5-(dihydrogen phosphate); NSC-82388; 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde 5-phosphate; Pyridoxal phosphate anhydrous; 2-Methyl-3-hydroxy-4-formyl-5-hydroxymethylpyridine-5-calcium phosphate; 4-pyridinecarboxaldehyde; 3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-; CHEMBL82202; F06SGE49M6; CHEBI:18405; pyridoxal-phosphate; NSC82388; MFCD00006333; MC-1; [(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy]phosphonic acid; 3-Hydroxy-2-methyl-5-([phosphonooxy]methyl)-4-pyridinecarboxaldehyde; Pyridoxal 5 inverted exclamation marka-phosphate hydrate; 2-Methyl-3-hydroxy-4-formyl-5-hydroxymethylpyridine-5-calcium phosphate trihydrate; (4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl dihydrogen phosphate; 4-Pyridinecarboxaldehyde;3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-; Pyridoxalphosphate; C8H10NO6P; Pyridoxal 5-phosphate;Pyridoxyl phosphate; Sechvitan; Vitahexin P; NCGC00166300-01; Pyridoxal-5-monophosphate; EINECS 200-208-3; NSC 82388; Pyridoxal 5-phosphate 5; Pyridoxal phosphate (6CI); UNII-F06SGE49M6; Vitamin B6 phosphate (ester); Pyridoxal; 5-(dihydrogenphosphate); SRI 2392; P-5-P; Pridoxal-5-Phosphate; pyridoxal 5-phosphate; P5P; Pyridoxal; 5-(dihydrogen phosphate) (8CI); (4-Formyl-5-hydroxy-6-methyl(3-pyridyl))methyl dihydrogen phosphate; bmse000111; Pyridoxal 5-phosphate monohydrate; vitamin B6; SCHEMBL23158; GTPL5249; SGCUT00188; DTXSID4048351; Pyridoxal 5-phosphate anhydrous; 2-Methyl-3-hydroxy-4-formyl-5-pyridylmethylphosphoric acid; EX-A980; 4-Formyl-5-hydroxy-6-methyl-pyridin-3-yl)methoxyphosphonic acid; BCP34576; HY-B1744; PYRIDOXAL 5-PHOSPHATE [MI]; Pyridoxal phosphate treated .beta.-lactoglobulin from bovine whey; to_000077; (4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate; BDBM50118216; PYRIDOXAL PHOSPHATE [WHO-DD]; s5311; STL185213; pyridoxal 5-(dihydrogen phosphate); AKOS015891654; Phosphoric acid mono-(4-formyl-5-hydroxy-6-methyl-pyridin-3-ylmethyl) ester; Pyridoxal 5-phosphate;Codecarboxylase; CCG-266929; CS-7767; DB00114; SB18794; PYRIDOXAL 5-PHOSPHATE [VANDF]; Pyridoxal 5-phosphate hydrate; >=98%; AS-19314; Pyridoxal 5-phosphate;Pyridoxyl phosphate; SY065874; DB-052584; VITAMIN B6 (PYRIDOXAL 5-PHOSPHATE); Isonicotinaldehyde; 5-(dihydrogen phosphate); NS00014024; C00018; F17391; EN300-6474442; Pyridoxal 5-phosphate monohydrate - Vitamin B6; A841303; Q418957; SR-01000944534; Q-201645; SR-01000944534-1; A26BDB6A-282A-4D13-A916-7B2B215B0FD6; Z1741970251; (4-Formyl-5-hydroxy-6-methylpyridin-3-yl)methyldihydrogenphosphate; (4-methanoyl-6-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate; 4-Pyridinecarboxaldehyde; 3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]- (9CI); Pyridoxal 5-phosphate hydrate; powder; BioReagent; suitable for cell culture]

InChI Key

NGVDGCNFYWLIFO-UHFFFAOYSA-N

InChI

InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)

IUPAC Name

(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate

CAS Number

54-47-7

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

26 26 0 0 0 0 0 0 0 0999 V2000
-4.2235 0.9551 -0.5488 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7642 0.7195 -0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0280 1.693...

Download SDF File (2235 bytes)

Experimental Data

Activity Data

Target Ion Channel

P2X purinoceptor 2

Uniprot Accession Number

Q9UBL9

Function

Blocker

Species

Homo sapiens (Human)

IC₅₀

IC₅₀: 7000 nM

EC₅₀

N/A (Not available)

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

pH 7.4

Holding Potential

−60 mV mV

Temperature

22 °C

Test Method

Patch-clamping

Test Species

HEK293 cell (Homo sapiens embryonic kidney 293 cell)

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1139/cjpp-2013-0404

URL

N/A (Not available)

PMID

24593783

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

0.5174

Complexity

52.8594

TPSA (Å²)

116.95

H-Bond Donors

H-Bond Acceptors

Ring Count

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