Basic information
- CAS
15176-29-1- Standard SMILES
CCc1cn(C2OCC(O)C2CO)c(=O)[nH]c1=O- InChIKey
QFVJRGJHSZSRJI-UHFFFAOYSA-N- Molecular formula
- C11H16N2O5
- Average molar mass
- 256.25 g/mol
- Monoisotopic mass
- 256.10592162
Overview
5-ethyl-1-[4-hydroxy-3-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione is a pyrimidone.
Names & identifiers
- Preferred name
- 5-Ethyl-1-[4-hydroxy-3-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
- IUPAC
- 5-ethyl-1-[4-hydroxy-3-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
- English name
- 5-Ethyl-2'-deoxyuridine
- Molecular formula
- C11H16N2O5
- Molecular weight
- 256.26
Names & synonyms
5-ethyl-1-[4-hydroxy-3-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dioneUridine,2'-deoxy-5-ethyl-KBio2_005485Spectrum_000009Spectrum2_001960Spectrum3_001569Spectrum4_000869Spectrum5_0010025-ethyl-1-[4-hydroxy-3-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dioneBSPBio_003078KBioGR_001537KBioSS_000349
Show more names
eduEDOXUDINEEUdREtudraeduridedoxudinEpoxudineRWJ 15817ORF 15817Aids021723
DivK1c_000465SPECTRUM1503214SPBio_002059CHEMBL2138464HMS501H07KBio1_000465KBio2_000349KBio2_002917
Database identifiers
- CAS
15176-29-1- PubChem CID
- 3201
- ChEMBL
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 395
Physicochemical properties
- Melting point
- 152 · 152-153°
- Density
- 1.389 · 1.389±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- DMSO (Slightly), Methanol (Slightly, Sonicated), Water (Slightly)
- form
- Solid
- pka
- 9.98 · 9.98(at 25℃)
- color
- Pale Beige to Beige
- biological source
- synthetic (organic)
- Water Solubility
- 50 mg/mL, · water: 50mg/mL, clear, colorless to yellow
- Stability
- Hygroscopic
- InChI
- InChI=1S/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8+,9+/m0/s1
- InChIKey
- XACKNLSZYYIACO-DJLDLDEBSA-N
- SMILES
- OC[C@H]1O[C@@H](N2C=C(CC)C(=O)NC2=O)C[C@@H]1O
- FDA UNII
- 15 ZQM81Y3R · 15ZQM81Y3R
- ATC code
- 6 BB09 · D06BB09
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- YU7500000
- hs_code
- 29349990
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Usesantiallergic, mast cell degranulation inhibitor, angiogenesis blocker
Uses5-Ethyl-2’-deoxyuridine was found to be a modulator of both antitumor action and pharmacokinetics of 5-Fluorouracil (F596000), a potent antineoplastic agent in clinical use.
UsesEdoxudine was found to be a modulator of both antitumor action and pharmacokinetics of 5-Fluorouracil (F596000), a potent antineoplastic agent in clinical use.
Suppliers62 total
北京华美互利生物化工010-56205725 · [email protected]
Zhengzhou Chemprize Biotech Co., Ltd.+86-86-0371-56768238 +86-15981919713 · [email protected]
广州弗尔博生物科技有限公司19513720913 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Hangzhou Pharma & Chem Co., Ltd.+86-0571-87040515 +8613958180668 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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