5-(Hydroxymethyl)uracil

HCID 78168CAS 4433-40-3

Grundinformationen

Standard-SMILES
O=c1[nH]cc(CO)c(=O)[nH]1
InChIKey
JDBGXEHEIRGOBU-UHFFFAOYSA-N
Summenformel
C5H6N2O3
Durchschnittliche Molmasse
142,11 g/mol
Monoisotopische Masse
142,03784205

Überblick

5-hydroxymethyluracil is a primary alcohol that is uracil bearing a hydroxymethyl substituent at the 5-position. It has a role as a human metabolite. It is a primary alcohol and a pyrimidone. It is functionally related to a uracil.

Namen und Bezeichner

Bevorzugter Name
5-(Hydroxymethyl)uracil
IUPAC
5-(hydroxymethyl)-1H-pyrimidine-2,4-dione
Lokaler Name
5-(Hydroxymethyl)uracil
Englischer Name
5-Hydroxymethyluracil
Summenformel
C5H6N2O3
Molmasse
142.11

Namen und Synonyme

5-Hydroxymethyluracil4433-40-35-(Hydroxymethyl)uracil2,4(1H,3H)-Pyrimidinedione, 5-(hydroxymethyl)-Uracil, 5-(hydroxymethyl)-5-(Hydroxymethyl)-2,4(1H,3H)-pyrimidinedionehydroxymethyluracil5-(hydroxymethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione590TQ3GL34NSC-20901DTXSID9063455CHEBI:16964
Weitere Namen anzeigen
NSC 20901AURORA KA-5475-methyloluracilα-HydroxythyMinea-Hydroxythymineuracil-5-methanolTIMTEC-BB SBB000084RARECHEM AH CK 0115HYDROXYMETHYL URACIL
RefChem:536253DTXCID8040307224-636-55-(HYDROXYMETHYL)PYRIMIDINE-2,4(1H,3H)-DIONE5-(Hydroxymethyl)pyrimidine-2,4-diol5-Oxymethyluracil5-Hydroxymethyl uracil5-(hydroxymethyl)-1H-pyrimidine-2,4-dione

Datenbank-Bezeichner

CAS
4433-40-3
PubChem CID
78168
DTXSID
DTXSID9063455
ChEMBL
CHEMBL1233360
ChEBI
CHEBI:16964
UNII
590TQ3GL34
EC Number
224-636-5
Nikkaji
J58.058I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-1,9
Polarare Oberfläche (TPSA)
78,4 Ų
H-Brücken-Donoren
3
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
1
Schwere Atome
10

Experimentelle und physikochemische Eigenschaften

LogP-1.94
Solubility44 mg/mL
Physical DescriptionSolid
Collision Cross Section · 3 Einträge

119.21 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

124.5 Ų [M-H]- [CCS Type: DT; Method: stepped-field]

124.1 Ų [M-H]-

Physikochemische Eigenschaften

Schmelzpunkt
300 °C · >300 °C(lit.)
Dichte
1.401 · 1.401±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
Löslichkeit
DMSO (Slightly, Heated), Methanol (Slightly, Heated), Water (Slightly, Heated)
pka
8.46 · 8.46±0.10(Predicted)
Aggregatzustand
Solid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29335990
RTECS-Nr.
YR0513000
hazard_code
Xi
safety_code
22-24/25

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 2 Einträge

Substances that augment, stimulate, activate, potentiate, or modulate the immune response at either the cellular or humoral level. The classical agents (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contain bacterial antigens. Some are endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Their mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy of many biological response modifiers is related to their antigen-specific immunoadjuvanticity.

Various agents with different action mechanisms used to treat or ameliorate PEPTIC ULCER or irritation of the gastrointestinal tract. This has included ANTIBIOTICS to treat HELICOBACTER INFECTIONS; HISTAMINE H2 ANTAGONISTS to reduce GASTRIC ACID secretion; and ANTACIDS for symptomatic relief.

Cellular LocationsCytoplasm

Verwendung und Herstellung

General Manufacturing Information2,4(1H,3H)-Pyrimidinedione, 5-(hydroxymethyl)-: INACTIVE

Anwendungen

Beschreibung5-Hydroxymethyluracil is a product of oxidative damage to DNA, predominantly by hydroxyl radical via the Fenton reaction. It can be used as a potential epigenetic mark enhancing or inhibiting transcription with bacterial RNA polymerase.

Verwenden5-Hydroxymethyluracil (cas# 4433-40-3) is a compound useful in organic synthesis.

Anbieter50 Anbieter

北京华美互利生物化工010-56205725 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: 5-hydroxymethyluracil is a primary alcohol that is uracil bearing a hydroxymethyl substituent at the 5-position. It has a role as a human metabolite. It is a primary alcohol and a pyrimidone. It derives from a uracil.

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