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bis(4-methylbenzene-1-sulfonic acid), N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine | CAS No. 388082-78-8

bis(4-methylbenzene-1-sulfonic acid), N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine

Basic Information

Chemical_Structure_Of
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CAS Number

388082-78-8

Molecular Formula

C43H44ClFN4O11S3

Molecular Weight

925.48 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Ethers
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

Melting Point

>276°C

SMILES

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CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl.O

InChI

InChI=1S/C29H26ClFN4O4S.2C7H8O3S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19;2*1-6-2-4-7(5-3-6)11(8,9)10/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35);2*2-5H,1H3,(H,8,9,10)

InChIKey

UWYXLGUQQFPJRI-UHFFFAOYSA-N

LogP

8.622540000000004

Topological Polar Surface Area

215.08999999999997 Ų

Hydrogen Bond Donor/Acceptor

4 / 14

Complexity

1100

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

  • XNRVGTHNYCNCFF-UHFFFAOYSA-N
  • LAPATINIB TOSILATE HYDRATE [JAN]
  • Lapatinib ditosylate anhydrous
  • 4-QUINAZOLINAMINE, N-(3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)PHENYL)-6-(5-(((2-(METHYLSULFONYL)ETHYL)AMINO)METHYL)-2-FURANYL)-, 4-METHYLBENZENESULFONATE (1:2)
  • GW572016F
  • CHEMBL1201179
  • Lapatinib tosilate hydrate (JAN)
  • 4-Quinazolinamine, N-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)-2-furanyl), bis(4-methylbenzenesulfonate), monohydrate
  • D04024
  • LAPATINIB DITOLUENESULFONATE MONOHYDRATE [MI]
  • Lapatinib Ditosylate [USAN]
  • LAPATINIB TOSILATE (MART.)
  • Lapatinib Ditosylate (Tykerb, Tyverb, GW-572016)
  • CCG-270586
  • Lapatinib ditoluenesulfonate monohydrate
  • Lapatinib tosilate hydrate
  • GW-2016
  • 388082-78-8
  • N-(3-Chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)furan-2-yl)quinazolin-4-aminebis(4-methylbenzenesulfonate)hydrate
  • 4-QUINAZOLINAMINE, N-(3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)PHENYL)-6-(5-(((2-(METHYLSULPHONYL)ETHYL)AMINO)METHYL)-2-FURANYL)-, BIS(4-METHYLBENZENESULPHONATE), MONOHYDRATE
  • N-[3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]furan-2-yl]quinazolin-4-amine bis(4-methylbenzenesulfonate) monohydrate
  • EX-A2821
  • Lapatinib Ditosylate Hydrate; GW-572016;
  • Lapatinib ditosylate hydrate
  • Lapatinib ditosylate (USAN)
  • 4-QUINAZOLINAMINE, N-(3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)PHENYL)-6-(5-(((2-(METHYLSULFONYL)ETHYL)AMINO)METHYL)-2-FURANYL)-, 4-METHYLBENZENESULFONATE, HYDRATE (1:2:1)
  • lapatinib tosilate
  • N-(3-Chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)furan-2-yl)quinazolin-4-amine bis(4-methylbenzenesulfonate) monohydrate
  • FT-0658570
  • Tyverb (TN)
  • Lapatinib Ditosylate

MDL Number

MFCD09264195

FAQ

What is bis(4-methylbenzene-1-sulfonic acid), N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine (CAS: 388082-78-8)?
Bis(4-methylbenzene-1-sulfonic acid), N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine (CAS: 388082-78-8) is a complex organic compound with a quinazoline scaffold. It contains multiple functional groups, including sulfonic acid, amino, and methoxy groups, making it a versatile molecule in chemical synthesis. The compound is known for its potential applications in pharmaceutical research due to its structural complexity and reactivity.

What are the main uses of bis(4-methylbenzene-1-sulfonic acid), N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine (CAS: 388082-78-8)?
This compound is primarily used in pharmaceutical research as a building block for the development of drugs. It is also utilized in organic synthesis for creating complex molecules with potential therapeutic applications. Its unique structure makes it valuable in the design of compounds targeting specific biological pathways, especially in the field of medicinal chemistry.

Is bis(4-methylbenzene-1-sulfonic acid), N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine (CAS: 388082-78-8) safe?
The safety of bis(4-methylbenzene-1-sulfonic acid), N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine (CAS: 388082-78-8) depends on its application. As a chemical reagent, it should be handled with care, using appropriate personal protective equipment (PPE). While specific toxicity data may be limited, it is generally considered safe when used under controlled laboratory conditions and in compliance with safety regulations.

How should bis(4-methylbenzene-1-sulfonic acid), N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine (CAS: 388082-78-8) be stored?
This compound should be stored in a cool, dry, and dark place, preferably at 2-8°C. It is recommended to keep it in a tightly sealed container to prevent moisture and air exposure. Avoid direct light and ensure storage conditions are stable to maintain its chemical integrity and prolong shelf life.

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Supplier Information

bis(4-methylbenzene-1-sulfonic acid), N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine — Jiangsu Kaiyuan Pharmaceutical Chemical Co., Ltd.

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bis(4-methylbenzene-1-sulfonic acid), N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine — ShangHaiMaiRuiErShengHua Technology Co Ltd

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bis(4-methylbenzene-1-sulfonic acid), N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine — Jin Jinle (Hunan) Chemical Co., Ltd.

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bis(4-methylbenzene-1-sulfonic acid), N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine — Shanghai Titan Shareholding Technology Co., Ltd.

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bis(4-methylbenzene-1-sulfonic acid), N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine — ShenZhenAiTaHuaXue Co Ltd

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