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Inhibitors/Agonists
Protein Tyrosine Kinase/PTK
GAK
2,4-Dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde
Inhibitors/Agonists
Protein Tyrosine Kinase/PTK
Protein Tyrosine Kinase/RTK
GAK

[ CAS No. 1195-08-0 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 1195-08-0
Chemical Structure| 1195-08-0
Chemical Structure| 1195-08-0
Structure of 1195-08-0 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 1195-08-0 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification
Alternatived Products of [ 1195-08-0 ]

Product Details of [ 1195-08-0 ]

CAS No. :1195-08-0 MDL No. :MFCD00192185
Formula : C5H4N2O3 Boiling Point : -
Linear Structure Formula :- InChI Key :OHAMXGZMZZWRCA-UHFFFAOYSA-N
M.W : 140.10 Pubchem ID :304590
Synonyms :

Calculated chemistry of [ 1195-08-0 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 33.07
TPSA : 82.79 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.89 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.22
Log Po/w (XLOGP3) : -1.03
Log Po/w (WLOGP) : -1.12
Log Po/w (MLOGP) : -1.3
Log Po/w (SILICOS-IT) : 1.38
Consensus Log Po/w : -0.37

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -0.44
Solubility : 51.1 mg/ml ; 0.365 mol/l
Class : Very soluble
Log S (Ali) : -0.22
Solubility : 84.2 mg/ml ; 0.601 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.39
Solubility : 5.73 mg/ml ; 0.0409 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.41

Safety of [ 1195-08-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1195-08-0 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 1195-08-0 ]
  • Downstream synthetic route of [ 1195-08-0 ]

[ 1195-08-0 ] Synthesis Path-Upstream   1~9

  • 1
  • [ 65-71-4 ]
  • [ 4433-40-3 ]
  • [ 1195-08-0 ]
Reference： [1] Chemistry Letters, 1986, p. 1319 - 1322
[2] Chemistry Letters, 1986, p. 1319 - 1322
[3] Journal of Organic Chemistry, 1988, vol. 53, # 15, p. 3421 - 3424
[4] Bulletin of the Chemical Society of Japan, 1994, vol. 67, # 8, p. 2257 - 2264
[5] Journal of Organic Chemistry, 1988, vol. 53, # 15, p. 3421 - 3424
  • 2
  • [ 65-71-4 ]
  • [ 4433-40-3 ]
  • [ 1195-08-0 ]
  • [ 23945-44-0 ]
Reference： [1] Nucleic Acids Research, 2015, vol. 43, # 20, p. 10026 - 10038
  • 3
  • [ 1195-08-0 ]
  • [ 23945-44-0 ]
Reference： [1] Canadian Journal of Chemistry, 2005, vol. 83, # 10, p. 1731 - 1740
[2] Nucleic Acids Research, 2015, vol. 43, # 20, p. 10026 - 10038
  • 4
  • [ 65-71-4 ]
  • [ 1195-08-0 ]
  • [ 23945-44-0 ]
Reference： [1] Nucleic Acids Research, 2015, vol. 43, # 20, p. 10026 - 10038
  • 5
  • [ 4433-40-3 ]
  • [ 1195-08-0 ]
  • [ 23945-44-0 ]
Reference： [1] Nucleic Acids Research, 2015, vol. 43, # 20, p. 10026 - 10038
  • 6
  • [ 65-71-4 ]
  • [ 4433-40-3 ]
  • [ 1195-08-0 ]
  • [ 23945-44-0 ]
Reference： [1] Nucleic Acids Research, 2015, vol. 43, # 20, p. 10026 - 10038
  • 7
  • [ 1195-08-0 ]
  • [ 42821-92-1 ]
Reference： [1] Canadian Journal of Chemistry, 2005, vol. 83, # 10, p. 1731 - 1740
  • 8
  • [ 1195-08-0 ]
  • [ 74-88-4 ]
  • [ 4869-46-9 ]
YieldReaction ConditionsOperation in experiment
89% With sodium hydride In DMF (N,N-dimethylformamide) at 20℃; for 0.5 h; To a slurry of 400mg of 5-formyluracil (2.8 mM) in DMF (10 mL) at room temperature was added sodium hydride (280 mg, 7 mM, 60percent in oil).
After stirring for 30 min., MeI (1.013 g, 7.2 mM) was added.
When the turbid reaction mixture became a homogeneous yellow solution tlc revealed the absence of starting uracil.
The reaction mixture was treated with MeOH and water, concentrated on the rotovap and the residue partitioned between MeOH and hexane.
The MeOH fraction was concentrated and the residue partitioned between chloroform and water.
The organic phase dried (MgSO4), filtered and concentrated to give 420 mg (89percent yield) of 1,3-dimethyl-5-formyluracil as an off-white waxy solid. 1H-NMR (DMSO-d6), δ=9.82 (s, 1H), 8.52 (s, 1H), 3.43 (s, 3H), 3.2 (s, 3H). LC/MS; rt=0.34 mins. m/z=169, [M+H]+.
Reference： [1] Patent: US2006/19965, 2006, A1, . Location in patent: Page/Page column 22
[2] European Journal of Organic Chemistry, 2015, vol. 2015, # 30, p. 6624 - 6630
  • 9
  • [ 1195-08-0 ]
  • [ 69304-47-8 ]
Reference： [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1981, p. 1665 - 1670

Tags: 1195-08-0 synthesis path| 1195-08-0 SDS| 1195-08-0 COA| 1195-08-0 purity| 1195-08-0 application| 1195-08-0 NMR| 1195-08-0 COA| 1195-08-0 structure

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