UCSF

ZINC01529638

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 14 No

Popular Name: 4-Nitrophenyl phosphate disodium salt hexahydrate 4-Nitrophenyl phosphate disodium…

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CAS Numbers: 123334-11-2 , 208651-58-5 , 32348-90-6 , 330-13-2 , 333338-18-4 , 4264-83-9 , 52435-04-8 , 52483-84-8 , 54306-27-3 , 62796-28-5 , 68189-42-4 , [208651-58-5] , [330-13-2] , [333338-18-4] , [4264-83-9] , [52483-84-8] , [54306-27-3]

Other Names:

"p-Nitrophenyl phosphate disodium hexahydrate, 98%"

330-13-2; 4-Nitrophenyl phosphate; C03360

330-13-2; 4-nitrophenyl phosphate; CPD-194; NO2-phen-P; nitrophenol-P; nitrophenol-phosphate; p-nitrophenyl phosphate; para-nitrophenyl phosphate

4-(hydroxy(oxido)amino)phenyl dihydrogen phosphate; 4-Nitrophenyl dihydrogen phosphate; 4-Nitrophenyl phosphate; Nitrophenylphosphate; Nitrophenylphosphic acid; p-nitro-Phenol dihydrogen phosphate; p-Nitrophenyl dihydrogen phosphate; Phosphoric acid mono(

4-Nitrophenyl dihydrogen phosphate, sodium salt

4-Nitrophenyl dihydrogen phosphate; 4-Nitrophenyl phosphate; nitrophenylphosphate; p-nitrophenyl dihydrogen phosphate; p-nitrophenyl phosphate; Phenol, p-nitro-, dihydrogen phosphate; phosphoric acid, mono(4-nitrophenyl) ester; phosphoric acid, mono(p-nit

4-Nitrophenyl dihydrogen phosphate; 4-Nitrophenyl phosphate; NSC 404086; Nitrophenylphosphate; P-NITROPHENYL PHOSPHATE; Phenol, p-nitro-, dihydrogen phosphate; Phosphoric acid, mono(4-nitrophenyl) ester; Phosphoric acid, mono(p-nitrophenyl) ester (8CI); b

4-Nitrophenyl disodium orthophosphate

4-Nitrophenyl Phosphate

4-Nitrophenyl phosphate bis(2-amino-2-ethyl-1,3-propanediol) salt

4-Nitrophenyl phosphate bis(tris) salt

4-Nitrophenyl phosphate di(tris) salt

4-Nitrophenyl phosphate disodium salt

4-Nitrophenyl phosphate disodium salt hexahydrate, 98%

4-Nitrophenyl phosphate disodium salt hexahydrate, 99%

4-nitrophenyl phosphate(2-)

4-Nitrophenyl phosphate, bis(cyclohexylammonium) salt

4-Nitrophenyl phosphate, bis(cyclohexylammonium) salt monohydrate, 99+%

4-Nitrophenyl phosphate, disodium salt, hexahydrate, 98+%

4-Nitrophenyl phosphate, potassium salt

4-nitrophenyl phosphate; 4-nitrophenyl phosphate dianion; mono(4-nitrophenyl)phosphate dianion; mono(4-nitrophenyl)phosphate(2-); mono(p-nitrophenyl)phosphate; mono(p-nitrophenyl)phosphate dianion; mono(p-nitrophenyl)phosphate(2-); p-nitrophenyl phosphate

4-NITROPHENYLPHOSPHATE,POTASSIUMSALT

CHEBI:12035; CHEBI:20458; CHEBI:40049; CHEBI:1915

CHEBI:163877

Disodium 4-nitrophenylphosphate

Disodium 4-Nitrophenylphosphate Hexahydrate

Disodium 4-Nitrophenylphosphate Hexahydrate [for Biochemical Research]

DNC011243

MFCD00006628

MFCD00007319

MFCD00037009

MFCD00040652

MFCD00042036

MFCD00066287

MFCD00066288

MFCD00067095

MFCD00069871

MFCD18909627

NITROPHENYLDIHYDROGENPHOSPHATESODIUMSALT 4-,

Nitrophenylphosphate

nitrophenylphosphate; p-nitrophenyl dihydrogen phosphate; p-nitrophenyl phosphate; phosphoric acid, mono(4-nitrophenyl) ester; phosphoric acid, mono(p-nitrophenyl) ester

P-NITROPHENYL PHOSPHATE DI(TRIS) SALT

P-nitrophenyl phosphate magnesium salt

P-nitrophenyl phosphate trisbuffer salt

p-Nitrophenylphosphate, ditris salt

p-NPP

Phosphoric acid mono(4-nitrophenyl) ester

phosphoric acid, 4-nitrophenyl ester, monosodium salt

PNPP

Sodium 4-nitrophenyl phosphate

Sodium 4-nitrophenyl phosphate hexahydrate

SS-0848

SS-7422

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.67 4.09 -121.92 0 7 -2 118 217.073 3 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.03e+00 g/l DrugBank-experimental
Mp [°C] 199 - 200 Acros Organics
Purity 99% Fluorochem
Mp [°C] >300 Acros Organics
Melting_Point >300? Alfa-Aesar
Melting_Point >300° Alfa-Aesar
UniProt Database Links ACR21_ORYSJ; ACR22_ORYSJ; ALPH_ELIME; ALPH_SYNE7; CDA_MYROD; CMBL_HUMAN; CNPDE_HELPY; CPDA_MYCTU; CYSQ_MYCTU; DOSP_ECOLI; DUS18_HUMAN; HYES_HUMAN; HYES_RAT; P845_THEAC; PAFA2_HUMAN; PEPP_ALLCE; PGP_BOVIN; PGP_HUMAN; PGP_MOUSE; PGP_PYRHO; PHOP2_BOVIN; PHOP ChEBI
UniProt Database Links ACR21_ORYSJ; ACR22_ORYSJ; ALPH_ELIME; ALPH_SYNE7; CDA_MYROD; CPDA_MYCTU; CYSQ_MYCTU; DOSP_ECOLI; DUS18_HUMAN; HYES_HUMAN; HYES_RAT; P845_THEAC; PAFA2_HUMAN; PHOP2_BOVIN; PHOP2_HUMAN; PHOP2_MOUSE; PHOP2_RAT; PHP_ECOLI; PHYA1_ASPTE; PHYA_ASPFU; PHYA_THIHE ChEBI
H phrase H332: Harmful if inhaled Acros Organics
H phrase H332: Harmful if inhaled; H302: Harmful if swallowed Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell Acros Organics
P phrase P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing Acros Organics
R phrase R20/22: Harmful by inhalation and if swallowed. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAH1-4-E Carbonic Anhydrase I (cluster #4 Of 12), Eukaryotic Eukaryotes 330 0.65 Binding ≤ 10μM
CAH13-7-E Carbonic Anhydrase XIII (cluster #7 Of 7), Eukaryotic Eukaryotes 1050 0.60 Binding ≤ 10μM
CAH2-5-E Carbonic Anhydrase II (cluster #5 Of 15), Eukaryotic Eukaryotes 63 0.72 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CAH1_HUMAN P00915 Carbonic Anhydrase I, Human 330 0.65 Binding ≤ 1μM
CAH2_HUMAN P00918 Carbonic Anhydrase II, Human 63 0.72 Binding ≤ 1μM
CAH1_HUMAN P00915 Carbonic Anhydrase I, Human 330 0.65 Binding ≤ 10μM
CAH2_HUMAN P00918 Carbonic Anhydrase II, Human 63 0.72 Binding ≤ 10μM
CAH13_MOUSE Q9D6N1 Carbonic Anhydrase XIII, Mouse 1050 0.60 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Erythrocytes take up carbon dioxide and release oxygen
Erythrocytes take up oxygen and release carbon dioxide
Reversible hydration of carbon dioxide

Analogs ( Draw Identity 99% 90% 80% 70% )