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3-(2,2-Dimethylpropyl)-5-[4-(4-fluorophenyl)-2-(2-methyl-2-propanyl)-1H-imidazol-5-yl]-3H-imidazo[4,5-b]pyridin-2-amine methanesulfonate (1:2) | CAS No. 862507-23-1

3-(2,2-Dimethylpropyl)-5-[4-(4-fluorophenyl)-2-(2-methyl-2-propanyl)-1H-imidazol-5-yl]-3H-imidazo[4,5-b]pyridin-2-amine methanesulfonate (1:2)

Basic Information

Chemical_Structure_Of
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CAS Number

862507-23-1

Molecular Formula

C26H37FN6O6S2

Molecular Weight

612.75 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Amines
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Dyes and Pigments Organic Dyes
Fine Chemicals Surfactants Anionic Surfactants
Fine Chemicals Specialty Chemicals UV Stabilizers
Agricultural Chemicals Pesticides Herbicides
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

634.4°C at 760 mmHg

SMILES

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CC(C)(C)Cn1c2c(ccc(n2)c3c(nc([nH]3)C(C)(C)C)c4ccc(cc4)F)nc1N.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C24H29FN6.2CH4O3S/c1-23(2,3)13-31-20-17(28-22(31)26)12-11-16(27-20)19-18(14-7-9-15(25)10-8-14)29-21(30-19)24(4,5)6;2*1-5(2,3)4/h7-12H,13H2,1-6H3,(H2,26,28)(H,29,30);2*1H3,(H,2,3,4)

InChIKey

NARMJPIBAXVUIE-UHFFFAOYSA-N

LogP

4.561300000000003

Topological Polar Surface Area

194.14999999999995 Ų

Hydrogen Bond Donor/Acceptor

5 / 12

Complexity

701

Safety Information

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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

  • 3H-Imidazo[4,5-b]pyridin-2-amine, 5-[2-(1,1-dimethylethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)-, methanesulfonate (1:2)
  • 3H-Imidazo[4,5-b]pyridin-2-amine, 5-[2-(1,1-dimethylethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl...
  • 3H-Imidazo[4,5-b]pyridin-2-amine, 5-[2-(1,1-dimethylethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)-, meth
  • 5-(2-tert-Butyl-5-(4-fluorophenyl)-1H-imidazol-4-yl)-3-neopentyl-3H-imidazo[4,5-b]pyridin-2-amine methanesulfonate
  • 5-[2-tert-butyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine,methanesulfonic acid
  • LY 2228820
  • LY2228820 (LY-2228820, LY 2228820)
  • LY-2228820
  • LY2228820 2MsOH
  • LY2228820 dimesylate
  • Ralimetinib dimesylate
  • Ralimetinib Mesylate
  • UNII-QUW7B71FO9
  • LY2228820
  • QUW7B71FO9
  • Ralimetinib mesylate [USAN]
  • Ralimetinib mesylate (USAN)
  • 5-(2-(tert-butyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)-3-neopentyl-3H-imidazo[4,5-b]pyridin-2-amine dimethanesulfonate
  • Ralimetinib (LY2228820)
  • NARMJPIBAXVUIE-UHFFFAOYSA-N
  • HMS3654J16
  • BCPP000179
  • Ralimetinib 2MsOH

MDL Number

MFCD22572532

FAQ

What regulatory guidelines apply to 3-(2,2-Dimethylpropyl)-5-[4-(4-fluorophenyl)-2-(2-methyl-2-propanyl)-1H-imidazol-5-yl]-3H-imidazo[4,5-b]pyridin-2-amine methanesulfonate (CAS: 862507-23-1)?
This compound (CAS: 862507-23-1) must comply with regulatory guidelines such as GHS classification for hazardous chemicals, REACH regulations in the EU for registration, evaluation, authorization, and restriction of chemicals, and FDA/EPA requirements for safety and environmental protection. Specific safety data sheets (SDS) should be consulted for detailed handling instructions and emergency measures.

Are there alternatives to 3-(2,2-Dimethylpropyl)-5-[4-(4-fluorophenyl)-2-(2-methyl-2-propanyl)-1H-imidazol-5-yl]-3H-imidazo[4,5-b]pyridin-2-amine methanesulfonate (CAS: 862507-23-1) in synthesis?
Alternatives to this compound in synthesis include analogous compounds with similar functional groups, such as other imidazo[4,5-b]pyridin-2-amine derivatives or their methanesulfonate salts. Other common reagents like substituted anilines or imidazoles may also serve as potential alternatives, depending on the specific reaction conditions and desired product characteristics.

What is the market or research trend for 3-(2,2-Dimethylpropyl)-5-[4-(4-fluorophenyl)-2-(2-methyl-2-propanyl)-1H-imidazol-5-yl]-3H-imidazo[4,5-b]pyridin-2-amine methanesulfonate (CAS: 862507-23-1)?
The market for this compound (CAS: 862507-23-1) is currently showing steady growth, driven by increasing research interest in its potential applications in pharmaceuticals and materials science. Emerging research trends focus on optimizing its synthesis, exploring its biological activity, and understanding its physicochemical properties. Market demand is expected to continue increasing as more applications are discovered.

How should waste containing 3-(2,2-Dimethylpropyl)-5-[4-(4-fluorophenyl)-2-(2-methyl-2-propanyl)-1H-imidazol-5-yl]-3H-imidazo[4,5-b]pyridin-2-amine methanesulfonate (CAS: 862507-23-1) be handled?
Waste containing this compound (CAS: 862507-23-1) should be collected in appropriate containers, labeled with the correct chemical name and warning labels. It should then be disposed of through professional waste disposal services that comply with local and international environmental regulations. Incineration and chemical neutralization are common disposal methods, and all handling procedures should follow the guidelines provided in the SDS and local waste management regulations.

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3-(2,2-Dimethylpropyl)-5-[4-(4-fluorophenyl)-2-(2-methyl-2-propanyl)-1H-imidazol-5-yl]-3H-imidazo[4,5-b]pyridin-2-amine methanesulfonate (1:2) — ShangHaiJiZhiShengHua Technology Co Ltd

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3-(2,2-Dimethylpropyl)-5-[4-(4-fluorophenyl)-2-(2-methyl-2-propanyl)-1H-imidazol-5-yl]-3H-imidazo[4,5-b]pyridin-2-amine methanesulfonate (1:2) — Shanghai Yuyeh Biotechnology Co., Ltd.

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3-(2,2-Dimethylpropyl)-5-[4-(4-fluorophenyl)-2-(2-methyl-2-propanyl)-1H-imidazol-5-yl]-3H-imidazo[4,5-b]pyridin-2-amine methanesulfonate (1:2) — BOC Sciences

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3-(2,2-Dimethylpropyl)-5-[4-(4-fluorophenyl)-2-(2-methyl-2-propanyl)-1H-imidazol-5-yl]-3H-imidazo[4,5-b]pyridin-2-amine methanesulfonate (1:2) — HePeng （ ShangHai ） Biotechnology Co Ltd

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