UCSF

ZINC18153302

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 10 Yes

Popular Name: Hypoxanthine Hypoxanthine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 23199-34-0 , 51953-23-2 , 68-94-0 , 95121-06-5 , [68-94-0]

Other Names:

"Hypoxanthine, 98%"

1,7-DIHYDRO-6H-PURIN-6-ONE

1,7-Dihydro-6H-purin-6-one; 1,7-Dihydro-6H-purine-6-one; 1H,7H-Hypoxanthine; 3H-Purin-6-ol; 4-Hydroxy-1H-purine; 6(1H)-Purinone; 6-Hydroxy-1H-purine; 6-Hydroxypurine; 6-Oxopurine; 7H-Purin-6-ol; 9H-Purin-6(1H)-one; 9H-Purin-6-ol; Hypoxanthine enol; Purin-

1,7-Dihydro-6H-purin-6-one; 1,7-Dihydro-6H-purine-6-one; 1H,7H-Hypoxanthine; 3H-Purin-6-ol; 4-Hydroxy-1H-purine; 6-Hydroxy-1H-purine; 6-Hydroxypurine; 6-Oxopurine; 6(1H)-Purinone; 7H-Purin-6-ol; 9H-Purin-6-ol; 9H-Purin-6(1H)-one; Hypoxanthine enol; Purin-

1,7-Dihydro-6H-purin-6-one; 3H-Purin-6-ol; 6(1H)-Purinone; 6-Hydroxy-1H-purine; 6-Hydroxypurine; 6-Oxopurine; 6H-Purin-6-one, 1,7-dihydro-; 9H-Purin-6(1H)-one; 9H-Purin-6-ol; 9H-Purin-6-ol (VAN); AI3-52242; EINECS 200-697-3; HX; Hypoxanthine; Hypoxanthine

1,7-Dihydro-6H-purin-6-one; 3H-Purin-6-ol; 6(1H)-Purinone; 6-Hydroxy-1H-purine; 6-Hydroxypurine; 6-Oxopurine; 6H-Purin-6-one, 1,7-dihydro-; 9H-Purin-6(1H)-one; 9H-Purin-6-ol; 9H-Purin-6-ol (VAN); AI3-52242; HX; HYPOXANTHINE; Hypoxanthine (VAN) (8CI); Hypo

1,7-Dihydro-6H-purin-6-one;1,7-Dihydro-6H-purine-6-one;1H,7H-Hypoxanthine;3H-Purin-6-ol;4-Hydroxy-1H-purine;6(1H)-Purinone;6-Hydroxy-1H-purine;6-Hydroxypurine;6-Oxopurine;7H-Purin-6-ol;9H-Purin-6(1H)-one;9H-Purin-6-ol;Hypoxanthine enol;Purin-6(1H)-one;Pur

1,9-dihydro-6H-purin-6-one

1H-Purin-6(7H)-one

1H-Purin-6(9H)-one

1H-Purin-6-ol (9CI)

2-(Trifluoromethyl)pyridine-5-boronic Acid Pinacol Ester; >

6(1H)-purinone; 6-oxopurine; 9H-purin-6(1H)-one; Hyp; hypoxanthine; purin-6(1H)-one

6-Hydroxypurine

68-94-0; C00262; Hypoxanthine; Purine-6-ol

68-94-0; hypoxanthine

6H-Purin-6-one, 1,9-dihydro- (9CI)

7H-purin-6-ol

9H-Purin-6-ol

CHEBI:24762; CHEBI:43237; CHEBI:5841; CHEBI:14431

F1386-0269

Hypoxanthine 99.5%

Hypoxanthine [68-94-0]; (6-Hydroxypurine)

Hypoxanthine, 99%

Hypoxanthine, 99.5%

HYPOXANTHINE, [8-14C]

HYPOXANTHINE,[8-14C]

HYPOXANTHINE; [68-94-0]

Methyl Trifluoropyruvate; > ; Limited quantity available in stock; > ; 2 weeks; > ; 97; > ; Very high; > ; yes; > ; No; > ; https://ryansci.com/products?catalog_number=048-14156

MFCD00005725

MFCD18910980

N/A

OR-1451

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) -0.73 1.96 -19.54 2 5 0 74 136.114 0 ↓
Hi High (pH 8-9.5) -0.27 -0.19 -46.35 1 5 -1 78 135.106 0 ↓

Vendor Notes

Note Type Comments Provided By
SOLUBILITY 1 M NaOH: 25 mg/mL Indofine
MP 298 - 300 Enamine Building Blocks
MP 298...300 Enamine Building Blocks
MP 299 - 300 Enamine Building Blocks
ALOGPS_SOLUBILITY 3.94e+00 g/l DrugBank-experimental
MP 300 - 300 Enamine Building Blocks
MP 300 - 302 Enamine Building Blocks
ALOGPS_SOLUBILITY 5.16e+00 g/l DrugBank-experimental
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% APIChem
Mp [°C] >250 Acros Organics
MP >300 °C(lit.) Indofine
Melting_Point >300? Alfa-Aesar
Melting_Point >300° Alfa-Aesar
Purity >99% Fluorochem
UniProt Database Links ADEC1_AGRT5; ADEC1_BACSK; ADEC1_BRADU; ADEC1_BRASO; ADEC1_CARHZ; ADEC1_DESPS; ADEC1_JANSC; ADEC1_LACSS; ADEC1_OENOB; ADEC1_RHIEC; ADEC1_RHIL3; ADEC1_RHIME; ADEC2_AGRT5; ADEC2_BACSK; ADEC2_BRADU; ADEC2_BRASO; ADEC2_CARHZ; ADEC2_DESPS; ADEC2_JANSC; ADEC2_LA ChEBI
PUBCHEM_PATENT_ID EP0285884A2; EP0869953A1; US4904770; US4908440; US4973677; US5126506; US5130421; US5212294; US5218106; US5514798; US5686629; US6034087; WO1996012716A1 IBM Patent Data
Patent Database Links EP1072601; EP1498101; EP1541581; EP1605055; EP1609462; EP1702620; EP1728863; EP1754710; EP1760153; EP1782826; EP1792983; EP1834642; EP1878431; EP1927363; EP1950301; EP1983044; US2003065039; US2005101776; US2005113393; US2005148067; US2005215513; US2005222 ChEBI
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H335: May cause respiratory irritation; H319: Causes serious eye irritation; H302: Harmful if swallowed Acros Organics
Target Others Selleck Chemicals
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
Reactome Database Links REACT_1268; REACT_1444; REACT_1518; REACT_1636; REACT_401; REACT_492; REACT_958 ChEBI
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-15-O Plasmodium Falciparum (cluster #15 Of 22), Other Other 4200 0.75 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 4200 0.75 Functional ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
Cleavage of the damaged purine
Purine catabolism
Purine salvage
Transport of nucleosides and free purine and pyrimidine bases across the plasma
Urate synthesis

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

No pre-computed analogs available. Try a structural similarity search.