Basic information
- CAS
125030-71-9- Standard SMILES
Cc1nnc2n1-c1sc(C#CCn3c(=O)c4ccccc4c4ccccc43)cc1C(c1ccccc1Cl)=NC2- InChIKey
MPMZSZMDCRPSRF-UHFFFAOYSA-N- Molecular formula
- C31H20ClN5OS
- Average molar mass
- 546 g/mol
- Monoisotopic mass
- 545.1077091
Overview
structure given in first source; platelet activating factor antagonist
Names & identifiers
- Preferred name
- Ro 24-4736
- IUPAC
- 5-[3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]prop-2-ynyl]phenanthridin-6-one
- English name
- Ro 24-4736
- Molecular formula
- C31H20ClN5OS
- Molecular weight
- 546.04
Names & synonyms
Ro-24-4736125030-71-9Ro 24-4736I2MJ13SOFODTXSID80154550RO-244736RefChem:930821DTXCID20770415-(3-(4-(2-Chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-2-propynyl)phenanthridin-6(5H)-oneCHEMBL2776505-[3-[7-(2-Chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]prop-2-ynyl]phenanthridin-6-one5-(3-(4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl)prop-2-yn-1-yl)phenanthridin-6(5H)-one
Show more names
Ro 24 4736,Ro2447366(5H)-Phenanthridinone, 5-[3-[4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-2-propyn-1-yl]-4-(2-Chlorophenyl)-9-methyl-2-[3-[(5,6-dihydro-6-oxophenanthridin)-5-yl]-1-propynyl]-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine
5-{3-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]prop-2-yn-1-yl}phenanthridin-6(5H)-oneRo 244736UNII-I2MJ13SOFOorb1706708SCHEMBL7528667SCHEMBL29383818AFA03071ro24-4736
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,040
Physicochemical properties
- Melting point
- 247 · 247-249 °C
- Boiling point
- 819.6 · 819.6±75.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 2.1 · 2.10±0.40(Predicted)
- FDA UNII
- 2 MJ13SOFO · I2MJ13SOFO
Chemistry & industry
Applications
UsesRo 24-4736 is a potent, selective, p.o.-active platelet-activating factor (PAF) antagonist with a long duration of action. Ro-24-4736 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
Upstream & downstream products
Upstream raw materials
Suppliers4 total
銳迪國際科技有限公司18024082417 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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