Basic information
- CAS
146949-21-5- Standard SMILES
COc1ccc(OCc2ccc(COc3c(Cl)cccc3Cl)cc2)c(Cl)c1- InChIKey
XXMDDBVNWRWNCW-UHFFFAOYSA-N- Molecular formula
- C21H17Cl3O3
- Average molar mass
- 423.7 g/mol
- Monoisotopic mass
- 422.024327
Names & identifiers
- Preferred name
- Pocapavir
- IUPAC
- 1,3-dichloro-2-[[4-[(2-chloro-4-methoxyphenoxy)methyl]phenyl]methoxy]benzene
- English name
- SCH 48973
- Molecular formula
- C21H17Cl3O3
- Molecular weight
- 423.72
Names & synonyms
Pocapavir146949-21-5v-073Sch-48973Sch 489734ILA3VOV97Benzene, 1-[(2-chloro-4-methoxyphenoxy)methyl]-4-[(2,6-dichlorophenoxy)methyl]-DTXSID00163548Benzene, 1-((2-chloro-4-methoxyphenoxy)methyl)-4-((2,6-dichlorophenoxy)methyl)-1-((2-CHLORO-4-METHOXYPHENOXY)METHYL)-4-((2,6-DICHLOROPHENOXY)METHYL)BENZENEpocapavirumRefChem:174977
Show more names
V074V-073 Sch-48973Pocapavir(SCH-48973pocapavir, 10 mM in DMSOSCH48973V074V 073SCH48973,V073,V 073,polioendgame,HEV,Enterovirus,pocapavir,SCH 48973,HRVs,polioviruses,HRV,Rhinovirus,HEVs,inhibit,Inhibitor
DTXCID70860391-((2-chloro-4-methoxyphenoxy)methyl)-4-((2,6-dichlorophenoxy)methyl)-benzenePocapavir [INN]1,3-dichloro-2-((4-((2-chloro-4-methoxyphenoxy)methyl)benzyl)oxy)benzene1,3-Dichloro-2-({4-[(2-chloro-4-methoxyphenoxy)methyl]benzyl}oxy)benzene1,3-dichloro-2-[[4-[(2-chloro-4-methoxyphenoxy)methyl]phenyl]methoxy]benzene1[2-chloro-4-methoxy-phenyl-oxymethyl]-4-[2,6-dichloro-phenyl-oxymethyl]-benzene1,3-dichloro-2-[[4-[(2-chloro-4-methoxy-phenoxy)methyl]phenyl]methoxy]benzene
Database identifiers
- CAS
146949-21-5- PubChem CID
- 1455
- DTXSID
DTXSID00163548- ChEMBL
CHEMBL1235858- UNII
- 4ILA3VOV97
- Nikkaji
- J832.977J
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 421
Physicochemical properties
- Boiling point
- 541.4 · 541.4±45.0 °C(Predicted)
- Density
- 1.329 · 1.329±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 100 · DMSO:100.0(Max Conc. mg/mL);236.0(Max Conc. mM)
- form
- Solid
- color
- White to off-white
- FDA UNII
- 4 ILA3VOV97 · 4ILA3VOV97
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.
Applications
UsesPocapavir (SCH-48973) is an orally active capsid inhibitor. Pocapavir prevents virion uncoating upon entry into the cell. Pocapavir has antiviral activity against polioviruses. Pocapavir also inhibits enterovirus infections[1].
Suppliers47 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
InvivoChem中国13549236410 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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