Basic information
- CAS
134379-77-4- Standard SMILES
Nc1nc(=O)n([C@H]2C=C[C@@H](CO)O2)cc1F- InChIKey
HSBKFSPNDWWPSL-CAHLUQPWSA-N- Molecular formula
- C9H10FN3O3
- Average molar mass
- 227.19 g/mol
- Monoisotopic mass
- 227.07061935
Overview
Dexelvucitabine has been used in trials studying the treatment of HIV Infections and Human Immunodeficiency Virus.
Names & identifiers
- Preferred name
- Dexelvucitabine
- IUPAC
- 4-amino-5-fluoro-1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one
- English name
- Dexelvucitabine
- Molecular formula
- C9H10FN3O3
- Molecular weight
- 227.19
Names & synonyms
Dexelvucitabine134379-77-4ReversetD-D4FCINCB-8721DPC-817YZ-817DexelvucitabinaKU8SPJ271Wbeta-D-D4FCDTXSID201586782',3'-Dideoxy-2',3'-didehydro-beta-L-5-fluorocytidine
Show more names
RVTFd4CYZ 817D-D-4FCRA 131423INCB 8721beta-D-D-4FC
2',3'-Dideoxy-2',3'-didehydro-5-fluorocytidinedexelvucitabinumRefChem:585860DPC817DTXCID2081169ACH-126-443beta-d-2',3'-didehydro-2',3'-dideoxy-5-fluorocytidine4-amino-5-fluoro-1-((2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl)-1,2-dihydropyrimidin-2-one
Database identifiers
- CAS
134379-77-4- PubChem CID
- 64973
- DTXSID
DTXSID20158678- ChEMBL
CHEMBL109831- UNII
- KU8SPJ271W
- Nikkaji
- J1.064.022I
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 405
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 394.9 · 394.9±52.0 °C(Predicted)
- Density
- 1.66 · 1.66±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 0 · DMSO:0.0(Max Conc. mg/mL);0.0(Max Conc. mM)
- form
- Solid
- pka
- 14.28 · 14.28±0.10(Predicted)
- color
- White to off-white
- FDA UNII
- 8 SPJ271W · KU8SPJ271W
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Inhibitors of reverse transcriptase (RNA-DIRECTED DNA POLYMERASE), an enzyme that synthesizes DNA on an RNA template.
Agents used to treat AIDS and/or stop the spread of the HIV infection. These do not include drugs used to treat symptoms or opportunistic infections associated with AIDS.
Applications
UsesTreatment of HIV-1 and HIV-2 infection.
UsesDexelvucitabine is a nucleoside reverse transcriptase inhibitor (NRTI) which had the potential to inhibit HIV-1 replication. The drug was discontinued due to evidence that it causes damage to the pancreas.
Suppliers25 total
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
Aladdin Scientific[email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
上海复和化学科技有限公司0086-21-67651709 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
郑州格然林医药科技有限公司0371-85513397 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
BOC Sciences16314854226 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
马鞍山致研生物医药科技有限公司18913822354 · [email protected]
浙江泽天精细化工有限公司18957127338 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
浙江天酶生物工程有限公司19967302939 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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