1-(3,4-Dichlorophenyl)-2-[4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidin-2-yl]guanidine
Basic information
- CAS
21062-28-2- Standard SMILES
CCN1CCCC(Nc2cc(C)nc(N=C(N)Nc3ccc(Cl)c(Cl)c3)n2)C1- InChIKey
ULEFBGMSKLBBKF-UHFFFAOYSA-N- Molecular formula
- C19H25Cl2N7
- Average molar mass
- 422.4 g/mol
- Monoisotopic mass
- 421.1548492
Overview
See also: WR-81844 (preferred).
Names & identifiers
- Preferred name
- 1-(3,4-Dichlorophenyl)-2-[4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidin-2-yl]guanidine
- IUPAC
- 1-(3,4-dichlorophenyl)-2-[4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidin-2-yl]guanidine
- English name
- 1-(3,4-dichlorophenyl)-2-[4-[(1-ethyl-3-piperidyl)amino]-6-methyl-pyrimidin-2-yl]guanidine
- Molecular formula
- C19H25Cl2N7
- Molecular weight
- 422.35
Names & synonyms
SKOG1021-(3,4-dichlorophenyl)-2-[4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidin-2-yl]guanidine1-(3,4-Dichlorophenyl)-3-(4-((1-ethylpiperidin-3-yl)amino)-6-methylpyrimidin-2-yl)guanidineorb1739577SCHEMBL2781115SCHEMBL15539642DTXSID501030736(+/-)-2-[3-(3,4-Dichlorophenyl)guanidino]-4-(1-ethyl-3-piperidylamino)-6-methylpyrimidine1-(3,4-DICHLOROPHENYL)-2-[4-[(1-ETHYL-3-PIPERIDYL)AMINO]-6-METHYL-PYRIMIDIN-2-YL]GUANIDINE1-(3,4-Dichlorophenyl)-2-{4-[(1-ethyl-3-piperidinyl)amino]-6-methyl-2-pyrimidinyl}guanidineWR-818441-(3,4-Dichlorophenyl)-3-[4-[(1-ethyl-3-piperidyl)amino]-6-methyl-2-pyrimidinyl]guanidine
Show more names
Guanidine, N-(3,4-dichlorophenyl)-N'-[4-[(1-ethyl-3-piperidinyl)amino]-6-methyl-2-pyrimidinyl]-
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 91.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 521
Physicochemical properties
- Boiling point
- 573.54 °C · 573.54°C (rough estimate)
- Density
- 1.1768 · 1.1768 (rough estimate)
- refractive index
- 1.63 · 1.6300 (estimate)
- pka
- 8.8 · 8.80±0.10(Predicted)
- FDA UNII
- 7 YB3SNX0 · DS7YB3SNX0
Chemistry & industry
Applications
UsesSKOG102 is a potent OLIG2 inhibitor that is directly engaging OLIG2 and interferes with the ability of OLIG2 to bind DNA. SKOG102 can be used for the research of glioblastoma (GBM)[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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