UCSF

ZINC00155696

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

CAS Number: 951-78-0

Other Names:

"2'-Deoxyuridine, 99%"

(beta 1-(2-Deoxyribopyranosyl))thymidine; 1-(2-Deoxy-beta-D-erythro-pentofuranoxyl)uracil; 2'-Deoxyuridine; 2'-Desoxyuridine; 2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-beta-D-erythro-ribofuranosyl)-; 2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-beta-D-ribofuranosy

1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione

1-((2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione

1-(2-Deoxy-?-D-ribofuranosyl)uracil

1-(2-deoxy-beta-D-erythro-pentofuranosyl)-2,4(1H,3H)-Pyrimidinedione; 1-(2-deoxy-beta-D-ribofuranosyl)-2,4(1H,3H)-Pyrimidinedione; 1-(2-deoxy-beta-delta-erythro-pentofuranosyl)-2,4(1H,3H)-Pyrimidinedione; 1-(2-deoxy-beta-delta-ribofuranosyl)-2,4(1H,3H)-Py

1-(2-Deoxy-beta-D-erythro-pentofuranosyl)-2,4(1H,3H)-Pyrimidinedione;1-(2-Deoxy-beta-D-ribofuranosyl)-2,4(1H,3H)-Pyrimidinedione;1-(2-Deoxy-beta-delta-erythro-pentofuranosyl)-2,4(1H,3H)-Pyrimidinedione;1-(2-Deoxy-beta-delta-ribofuranosyl)-2,4(1H,3H)-Pyrim

1-(2-deoxy-beta-D-ribofuranosyl)-2,4(1H,3H)-Pyrimidinedione; 1-(2-Deoxy-D-erythro-pentofuranosyl)uracil; 1-(2-Deoxy-delta-erythro-pentofuranosyl)uracil; 2-deoxyuridine; 2'-Deoxyuridine; 2'-Desoxyuridine; Deoxyribose uracil; Deoxyuridine; Desoxyuridine; dU

1-(2-Deoxy-beta-D-ribofuranosyl)uracil

1-(2-Deoxy-beta-D-ribofuranosyl)uracil; 2'-Deoxyuridine; 2-Deoxyuridine; Deoxyuridine; Uracil deoxyriboside; ZINC00155696; bmse000320

1-(2-Deoxy-D-erythro-pentofuranosyl)uracil; 1-(2-Deoxy-beta-D-erythro-pentofuranosyl)-2,4(1H,3H)-Pyrimidinedione; 1-(2-Deoxy-beta-D-ribofuranosyl)-2,4(1H,3H)-Pyrimidinedione; 1-(2-Deoxy-beta-delta-erythro-pentofuranosyl)-2,4(1H,3H)-Pyrimidinedione; 1-(2-D

1-(2-Deoxy-D-erythro-pentofuranosyl)uracil;1-(2-Deoxy-beta-D-erythro-pentofuranosyl)-2,4(1H,3H)-Pyrimidinedione;1-(2-Deoxy-beta-D-ribofuranosyl)-2,4(1H,3H)-Pyrimidinedione;1-(2-Deoxy-beta-delta-erythro-pentofuranosyl)-2,4(1H,3H)-Pyrimidinedione;1-(2-Deoxy

1-(2-Deoxy-^b-D-ribofuranosyl)uracil

1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4(1H,3H)-dione

2 -Deoxyuridine

2'-Deoxyuridine, 99%

2'-Deoxyuridine, 99+%

2'-Deoxyuridine; 2-Deoxyuridine; 951-78-0; C00526; Deoxyuridine

2'-deoxyuridine; 951-78-0; deoxyuridine

CHEBI:11398; CHEBI:42178; CHEBI:46165; CHEBI:46289; CHEBI:46293; CHEBI:14123; CHEBI:23640; CHEBI:19261; CHEBI:4434; CHEBI:29113; CHEBI:11572

Deoxyuridine

MFCD00006527

NA

SS-7608

Uracil deoxyriboside

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) -2.13 -4.44 -17.08 3 7 0 105 228.204 2

Vendor Notes

Note Type Comments Provided By
Mp [°C] 163 - 167 Acros Organics
MP 164 TCI
Melting_Point 164-167? Alfa-Aesar
Melting_Point 164-167° Alfa-Aesar
MP 164-168° Oakwood Chemical
UniProt Database Links 438L_IIV6; ABC3G_CHLAE; ABC3G_ERYPA; ABC3G_GORGO; ABC3G_HUMAN; ABC3G_LAGLA; ABC3G_MACFA; ABC3G_MACMU; ABC3G_MACNG; ABC3G_PANPA; ABC3G_PANTR; ABC3G_PAPAN; ABC3G_PONPY; ABC3G_SAGLB; CDD_ACTP2; CDD_ACTP7; CDD_ACTPJ; CDD_ACTSZ; CDD_AERHH; CDD_AERS4; CDD_BACHD ChEBI
Purity 95% Fluorochem
Purity 97% Fluorochem
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; 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 Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
Reactome Database Links REACT_1172; REACT_1389; REACT_1691; REACT_1812; REACT_2153; REACT_2200; REACT_358; REACT_376; REACT_966; REACT_982 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.; S36/37/39: Wear suitable protective clothing, 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
Z50594-1-O Mus Musculus (cluster #1 Of 9), Other Other 0 0.00 Functional ≤ 10μM
Z80583-1-O Vero (Kidney Cells) (cluster #1 Of 7), Other Other 2 0.76 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50594 Z50594 Mus Musculus 0.11 0.87 Functional ≤ 10μM
Z80583 Z80583 Vero (Kidney Cells) 2.2 0.76 Functional ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
Pyrimidine catabolism
Pyrimidine salvage reactions

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