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Basic information
- CAS
162704-20-3- Standard SMILES
Cn1nc(O[C@@H]2c3cc(S(=O)(=O)c4cccc(O)c4)ccc3OC(C)(C)[C@@]2(C)O)ccc1=O- InChIKey
MOZBVDKKWDXRGH-GGAORHGYSA-N- Molecular formula
- C23H24N2O7S
- Average molar mass
- 472.5 g/mol
- Monoisotopic mass
- 472.13042228
Names & identifiers
- Preferred name
- UK-157147
- IUPAC
- 6-[[(3S,4R)-3-hydroxy-6-(3-hydroxyphenyl)sulfonyl-2,2,3-trimethyl-4H-chromen-4-yl]oxy]-2-methylpyridazin-3-one
- English name
- UK-157147
- Molecular formula
- C23H24N2O7S
- Molecular weight
- 472.51
Names & synonyms
UK-157147162704-20-34MLV6V88TGUK157147RefChem:933769UK 157147UK 157,147UK-147,157UNII-4MLV6V88TG6-[[(3S,4R)-3-hydroxy-6-(3-hydroxyphenyl)sulfonyl-2,2,3-trimethyl-4H-chromen-4-yl]oxy]-2-methylpyridazin-3-one3(2H)-Pyridazinone, 6-(((3S,4R)-3,4-dihydro-3-hydroxy-6-((3-hydroxyphenyl)sulfonyl)-2,2,3-trimethyl-2H-1-benzopyran-4-yl)oxy)-2-methyl-3(2H)-Pyridazinone, 6-((3,4-dihydro-3-hydroxy-6-((3-hydroxyphenyl)sulfonyl)-2,2,3-trimethyl-2H-1-benzopyran-4-yl)oxy)-2-methyl-, (3S-trans)-
Show more names
6-(((3S,4R)-3-hydroxy-6-((3-hydroxyphenyl)sulfonyl)-2,2,3-trimethylchroman-4-yl)oxy)-2-methylpyridazin-3(2H)-one3(2H)-Pyridazinone, 6-[[(3S,4R)-3,4-dihydro-3-hydroxy-6-[(3-hydroxyphenyl)sulfonyl]-2,2,3-trimethyl-2H-1-benzopyran-4-yl]oxy]-2-methyl-
6-(((3S,4R)-3,4-Dihydro-3-hydroxy-6-((3-hydroxyphenyl)sulfonyl)-2,2,3-trimethyl-2H-1-benzopyran-4-yl)oxy)-2-methyl-3(2H)-pyridazinoneorb1706058SCHEMBL3097671MOZBVDKKWDXRGH-GGAORHGYSA-NAKOS040744387DA-68464HY-100319CS-0018470
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 941
Physicochemical properties
- Melting point
- 138 · 138-165 °C
- Boiling point
- 659.2 · 659.2±65.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 8.51 · 8.51±0.10(Predicted)
- FDA UNII
- 4 MLV6V88TG · 4MLV6V88TG
Chemistry & industry
Applications
UsesUK-157147 is a substrate for UDP-glucuronosyltransferases (UGT1A1) with a Km value of 105 μM.
Suppliers6 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
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]
TargetMol中国（陶术生物）15002134094 · [email protected]
山东子易医药有限公司13173053288 · [email protected]
Related reactions
1 records
Compound notes
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