UCSF

ZINC00895129

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 11 Yes

CAS Numbers: 10333-92-3 , 635-39-2 , 73-40-5 , 842165-07-5 , [73-40-5]

Other Names:

"Guanine, 99%"

2-Amino-1,7-dihydro-6H-purin-6-one monohydrochloride; 6H-Purin-6-one, 2-amino-1,7-dihydro-, monohydrochloride; EINECS 211-235-5; Guanine hydrochloride; Guanine, hydrochloride; Guanine, monohydrochloride; LS-73938; NSC 3702; USAF S-1

2-Amino-1,7-dihydro-6H-Purin-6-one; 2-Amino-1,9-dihydro-6H-purin-6-one; 2-Amino-1,9-dihydro-purin-6-one; 2-Amino-3,7-dihydro-6H-purin-6-one; 2-Amino-6-hydroxy-1H-purine; 2-Amino-6-hydroxypurine; 2-Amino-6-purinol; 2-Amino-Hypoxanthine; 2-Aminohypoxanthine

2-Amino-1,7-dihydro-6H-purin-6-one; 2-Amino-6-hydroxypurine; 2-Amino-6-purinol; 2-Aminohypoxanthine; 6-Hydroxy-2-aminopurine; 6H-Purin-6-one, 2-amino-1,7-dihydro-; AI3-24393; C.I. 75170; C.I. Natural White 1; CI 75170; CI Natural white 1; Dew Pearl; GUANI

2-Amino-1,7-dihydro-6H-Purin-6-one;2-Amino-1,9-dihydro-6H-purin-6-one;2-Amino-1,9-dihydro-purin-6-one;2-Amino-3,7-dihydro-6H-purin-6-one;2-Amino-6-hydroxy-1H-purine;2-Amino-6-hydroxypurine;2-Amino-6-purinol;2-Amino-Hypoxanthine;2-Aminohypoxanthine;6-Hydro

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

2-Amino-1H-purin-6(7H)-one

2-Amino-1H-purin-6(7H)-one hydrochloride

2-Amino-1H-purin-6(7H)-one sulfate

2-Amino-1H-purin-6(7H)-onesulfate

2-Amino-1H-purin-6(9H)-one acetate

2-amino-3,7-dihydropurin-6-one

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

2-Amino-6-hydroxy purine Hydrochloride

2-Amino-6-hydroxypurine

2-Amino-6-hydroxypurine hydrochloride

2-Amino-6-hydroxypurine; 73-40-5; C00242; Guanine

2-amino-6-oxopurine; Gua; guanine

2-amino-9H-purin-6-ol

6H-purin-6-one, 2-amino-1,9-dihydro-

73-40-5; guanine

CHEBI:42948; CHEBI:14371; CHEBI:24443; CHEBI:14372; CHEBI:5563

guanine hemisulfate

Guanine hydrochloride

Guanine Hydrochloride Hydrate

Guanine hydrochloride, 99%

Guanine Sulfate Dihydrate

Guanine [73-40-5]

Guanine, 98%

Guanine, 99+%

Guanine, HCl

GUANINE; [73-40-5]

GUANINESULFATE

MFCD00040398

MFCD00065207

MFCD00071533

MFCD00082221

MFCD00213670

MFCD00213671

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) -0.93 1.36 -17.89 4 6 0 100 151.129 0

Vendor Notes

Note Type Comments Provided By
UniProt Database Links 128UP_DROME; 5H1AA_TAKRU; 5H1AB_TAKRU; 5HT1A_CANFA; 5HT1A_GORGO; 5HT1A_HORSE; 5HT1A_HUMAN; 5HT1A_MOUSE; 5HT1A_PANTR; 5HT1A_PONPY; 5HT1A_RAT; 5HT1A_VULVU; 5HT1A_XENLA; 5HT1B_CANFA; 5HT1B_CAVPO; 5HT1B_CRIGR; 5HT1B_DIDVI; 5HT1B_FELCA; 5HT1B_GORGO; 5HT1B_HORS ChEBI
ALOGPS_SOLUBILITY 2.53e+00 g/l DrugBank-experimental
MP 298 - 300 Enamine Building Blocks
MP 298...300 Enamine Building Blocks
MP 299 - 300 Enamine Building Blocks
MP 300 - 300 Enamine Building Blocks
MP 300 - 302 Enamine Building Blocks
Mp [°C] 360 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks
ALOGPS_SOLUBILITY 9.76e+00 g/l DrugBank-experimental
purity 95 Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% APIChem
MP >300 °C(lit.) Indofine
Melting_Point >300? Alfa-Aesar
Melting_Point >300° Alfa-Aesar
Patent Database Links EP1072601; EP1466919; EP1493810; EP1518854; EP1526177; EP1541581; EP1550720; EP1557424; EP1559785; EP1600507; EP1652528; EP1676586; EP1710249; EP1728863; EP1749516; EP1752536; EP1754710; EP1759713; EP1780268; EP1780276; EP1782826; EP1849865; EP1930340; EP ChEBI
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation Acros Organics
P phrase P302+ P352: IF ON SKIN: Wash with plenty of soap and water Acros Organics
P phrase P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
Reactome Database Links REACT_1040; REACT_1268; REACT_1442; REACT_1444; REACT_758; 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
SOLUBILITY Stable. Incompatible with strong oxidizing agents. Indofine
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PNPH-1-E Purine-nucleoside Phosphorylase (cluster #1 Of 1), Eukaryotic Eukaryotes 5000 0.67 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PNPH_HUMAN P00491 Purine Nucleoside Phosphorylase, Human 5000 0.67 Binding ≤ 10μM
PNPH_RAT P85973 Purine-nucleoside Phosphorylase, Rat 5000 0.67 Binding ≤ 10μM

Direct Reactome Annotations (via ChEBI)

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

Reactome Annotations from Targets (via Uniprot)

Description Species
Purine catabolism
Purine salvage

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