Isopropyl 4-((5-methoxy-6-((2-methyl-6-(methylsulfonyl)pyridin-3-yl)amino)pyrimidin-4-yl)oxy)piperidine-1-carboxylate | CAS No. 897732-93-3

Isopropyl 4-((5-methoxy-6-((2-methyl-6-(methylsulfonyl)pyridin-3-yl)amino)pyrimidin-4-yl)oxy)piperidine-1-carboxylate

Basic Information

CAS Number

897732-93-3

Molecular Formula

C21H29N5O6S

Molecular Weight

479.56 g/mol

AD

Basic Physical Properties

CC1=C(C=CC(=N1)S(=O)(=O)C)NC2=C(C(=NC=N2)OC3CCN(CC3)C(=O)OC(C)C)OC

InChI

InChI=1S/C21H29N5O6S/c1-13(2)31-21(27)26-10-8-15(9-11-26)32-20-18(30-4)19(22-12-23-20)25-16-6-7-17(24-14(16)3)33(5,28)29/h6-7,12-13,15H,8-11H2,1-5H3,(H,22,23,25)

InChIKey

WPDCHTSXOPUOII-UHFFFAOYSA-N

LogP

2.7239200000000015

Topological Polar Surface Area

132.84 Ų

Hydrogen Bond Donor/Acceptor

1 / 11

Complexity

740

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • propan-2-yl 4-[5-methoxy-6-[(2-methyl-6-methylsulfonylpyridin-3-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
  • APD 597
  • APD-597
  • APD597
  • JNJ-38431055
  • APD597 (JNJ-38431055)
  • 4-[[6-[(6-Methylsulfonyl-2-methylpyridin-3-yl)amino]-5-methoxypyrimidin-4-yl]oxy]piperidine-1-carboxylic acid isopropyl ester
  • JNJ38431055
  • JNJ 38431055
  • CS-1557
  • 1-Piperidinecarboxylic acid, 4-[[5-methoxy-6-[[2-methyl-6-(methylsulfonyl)-3-pyridinyl]amino]-4-pyrimidinyl]oxy]-, 1-methylethyl ester
  • HY-15566
  • DB12084
  • CHEMBL1951032
  • CS-5278
  • isopropyl 4-((5-methoxy-6-((2-methyl-6-(methylsulfonyl)pyridin-3-yl)amino)pyrimidin-4-yl)oxy)piperidine-1-carboxylate
  • GTPL5727
  • AKOS026751481
  • BS-17790
  • propan-2-yl 4-({6-[(6-methanesulfonyl-2-methylpyridin-3-yl)amino]-5-methoxypyrimidin-4-yl}oxy)piperidine-1-carboxylate
  • AC-33177
  • isopropyl 4-(5-methoxy-6-(2-methyl-6-(methylsulfonyl)pyridin-3-ylamino)pyrimidin-4-yloxy)piperidine-1-carboxylate
  • DB-109001
  • BRD-K86226872-001-01-6
  • 4-((6-((6-METHYLSULFONYL-2-METHYLPYRIDIN-3-YL)AMINO)-5-METHOXYPYRIMIDIN-4-YL)OXY)PIPERIDINE-1-CARBOXYLIC ACID ISOPROPYL ESTER
  • 897732-93-3
  • WPDCHTSXOPUOII-UHFFFAOYSA-N
  • DTXSID10237885
  • NS00072236
  • EX-A1213
  • BDBM50364559

MDL Number

MFCD25976734

FAQ

What are the physical and chemical properties of Isopropyl 4-((5-methoxy-6-((2-methyl-6-(methylsulfonyl)pyridin-3-yl)amino)pyrimidin-4-yl)oxy)piperidine-1-carboxylate (CAS: 897732-93-3)?

Isopropyl 4-((5-methoxy-6-((2-methyl-6-(methylsulfonyl)pyridin-3-yl)amino)pyrimidin-4-yl)oxy)piperidine-1-carboxylate is a crystalline compound with a molecular weight of approximately 634.66 g/mol. It has limited water solubility and is more soluble in organic solvents. This compound is reactive, particularly in nucleophilic substitution and condensation reactions. It is stable under normal conditions but should be handled with care to avoid incompatible reagents.

How is Isopropyl 4-((5-methoxy-6-((2-methyl-6-(methylsulfonyl)pyridin-3-yl)amino)pyrimidin-4-yl)oxy)piperidine-1-carboxylate (CAS: 897732-93-3) typically synthesized?

Isopropyl 4-((5-methoxy-6-((2-methyl-6-(methylsulfonyl)pyridin-3-yl)amino)pyrimidin-4-yl)oxy)piperidine-1-carboxylate can be synthesized through a multi-step process involving the reaction of a piperidine derivative with a 4-alkoxy-6-substituted pyrimidin-5-amine. This synthesis typically uses a catalyst and involves selective functional group transformations to achieve high yield.

What industries use Isopropyl 4-((5-methoxy-6-((2-methyl-6-(methylsulfonyl)pyridin-3-yl)amino)pyrimidin-4-yl)oxy)piperidine-1-carboxylate (CAS: 897732-93-3)?

Isopropyl 4-((5-methoxy-6-((2-methyl-6-(methylsulfonyl)pyridin-3-yl)amino)pyrimidin-4-yl)oxy)piperidine-1-carboxylate is primarily used in the pharmaceutical industry for the development of novel drug candidates. It may also find applications in polymer chemistry and sensor technology due to its unique chemical structure and reactivity.

What precautions should be taken when handling Isopropyl 4-((5-methoxy-6-((2-methyl-6-(methylsulfonyl)pyridin-3-yl)amino)pyrimidin-4-yl)oxy)piperidine-1-carboxylate (CAS: 897732-93-3)?

When handling Isopropyl 4-((5-methoxy-6-((2-methyl-6-(methylsulfonyl)pyridin-3-yl)amino)pyrimidin-4-yl)oxy)piperidine-1-carboxylate, it is important to use appropriate personal protective equipment (PPE) such as gloves and goggles. The compound should be stored in a well-ventilated area and handled in a fume hood to minimize exposure. Spills should be immediately cleaned up and handled according to the Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS).

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