Basic information
- CAS
135525-78-9- Standard SMILES
CCc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C- InChIKey
WHFRDXVXYMGAJD-UHFFFAOYSA-N- Molecular formula
- C16H15Cl2N3O2
- Average molar mass
- 352.2 g/mol
- Monoisotopic mass
- 351.0541321
Overview
HIV-1 reverse transcriptase inhibitor
Names & identifiers
- Preferred name
- L 697661
- IUPAC
- 3-[(4,7-dichloro-1,3-benzoxazol-2-yl)methylamino]-5-ethyl-6-methyl-1H-pyridin-2-one
- English name
- L 697661
- Molecular formula
- C16H15Cl2N3O2
- Molecular weight
- 352.22
Names & synonyms
135525-78-9L-697661L-697,661L 6976614660N666EZDTXSID101594572(1H)-Pyridinone, 3-(((4,7-dichloro-2-benzoxazolyl)methyl)amino)-5-ethyl-6-methyl-RefChem:924336DTXCID30819483-(((4,7-Dichloro-1,3-benzoxazol-2-yl)methyl)amino)-5-ethyl-6-methylpyridin-2(1H)-one3-[(4,7-dichloro-1,3-benzoxazol-2-yl)methylamino]-5-ethyl-6-methyl-1H-pyridin-2-one3-(((4,7-Dichlorobenzo[d]oxazol-2-yl)methyl)amino)-5-ethyl-6-methylpyridin-2(1H)-one
Show more names
661L697661,L 6976613-(4,7-Dichlorobenzoxazole-2-ylmethylamino)-5-ethyl-6-methyl-2(1H)-pyridinone5-Ethyl-6-methyl-3-[[(4,7-dichlorobenzoxazol-2-yl)methyl]amino]pyridin-2(1H)-one3-[[(4,7-Dichlorobenzoxazol-2-yl)methyl]amino]-5-ethyl-6-methylpyridin-2(1H)-one3-[(4,7-Dichlorobenzoxazole-2-ylmethyl)amino]-5-ethyl-6-methylpyridine-2(1H)-one
CHEMBL2688713-{[(4,7-dichloro-1,3-benzoxazol-2-yl)methyl]amino}-5-ethyl-6-methylpyridin-2(1h)-oneSCHEMBL599639BDBM1317orb1700199SCHEMBL29456987SCHEMBL30432096UNII-4660N666EZ
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 549
Physicochemical properties
- Boiling point
- 558.568 · 558.568±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.42 · 1.420±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.41 · 13.410±0.10(predicted)
- FDA UNII
- 4660 N666EZ · 4660N666EZ
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
Inhibitors of reverse transcriptase (RNA-DIRECTED DNA POLYMERASE), an enzyme that synthesizes DNA on an RNA template.
Applications
UsesL 697661 is an orally active HIV-1 reverse transcriptase inhibitor[1].
Suppliers4 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
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Compound notes
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