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5-[2-(4-{[(2S)-1,5-Diethoxy-1,5-dioxo-2-pentanyl]carbamoyl}phenyl)ethyl]-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-2-aminium 4-methylbenzenesulfonate | CAS No. 165049-28-5

5-[2-(4-{[(2S)-1,5-Diethoxy-1,5-dioxo-2-pentanyl]carbamoyl}phenyl)ethyl]-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-2-aminium 4-methylbenzenesulfonate

Basic Information

Chemical_Structure_Of
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CAS Number

165049-28-5

Molecular Formula

C31H37N5O9S

Molecular Weight

655.7 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Esters
Basic Chemical Raw Materials Organic Chemicals Ethers
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
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)CCC2=CNC3=C2C(=O)NC(=N3)N.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C24H29N5O6.C7H8O3S/c1-3-34-18(30)12-11-17(23(33)35-4-2)27-21(31)15-8-5-14(6-9-15)7-10-16-13-26-20-19(16)22(32)29-24(25)28-20;1-6-2-4-7(5-3-6)11(8,9)10/h5-6,8-9,13,17H,3-4,7,10-12H2,1-2H3,(H,27,31)(H4,25,26,28,29,32);2-5H,1H3,(H,8,9,10)/t17-;/m0./s1

InChIKey

UANBXQTVHOIGGQ-LMOVPXPDSA-N

LogP

4.91800

Complexity

1020

Synonyms & References

English

  • L-Glutamic acid, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-, diethyl ester, mono(4-methylbenzenesulfonate)
  • BCP09339
  • AC-8121
  • N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]L-glutamic acid
  • N-(4-[2-(2-Amino-4,7-Dihydro-4-Oxo-1H-Pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl)-L-Glutamic Acid Diethyl Ester p-Toluenesulfonic Acid Salt
  • CS-0151537
  • DS-16382
  • N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]L-glutamic acid diethylester p-toluenesulfonic acid salt
  • N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid diethylester p-toluenesulfonic acid salt
  • Pemetrexed diethyl ester tosylate
  • AKOS015896978
  • D70577
  • n-(4-(2-(2-amino-4,7-dihydro-4-oxo-3h-pyrrolo(2,3-d)pyrimidin-5-yl)ethyl)benzoyl)-l-glutamic acid 1,5-diethyl ester 4-methylbenzenesulfonate
  • 4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl-L-glutamic acid diethyl ester p-toluenesulfonate salt
  • C31H37N5O9S
  • MFCD12911689
  • SCHEMBL207059
  • 165049-28-5
  • DTXSID80704872
  • 4-Methylbenzene-1-sulfonic acid--diethyl N-{4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamate (1/1)
  • A24994
  • (S)-Diethyl 2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioate 4-methylbenzenesulfonate
  • UANBXQTVHOIGGQ-LMOVPXPDSA-N
  • AC5W4UN7ET
  • L-Glutamic acid, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-, 1,5-diethyl ester, 4-methylbenzenesulfonate (1:1)
  • diethyl (2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate;4-methylbenzenesulfonic acid
  • N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid 1,5-diethyl ester 4-methylbenzenesulfonate
  • (S)-Diethyl2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioate4-methylbenzenesulfonate
  • N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic Acid 1
  • (S)-Diethyl 2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioate 4-methylbe...
  • diethyl (2S)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate,4-methylbenzenesulfonic acid

MDL Number

MFCD12911689

Customs Code

2942000000

FAQ

What is 5-[2-(4-{[(2S)-1,5-Diethoxy-1,5-dioxo-2-pentanyl]carbamoyl}phenyl)ethyl]-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-2-aminium 4-methylbenzenesulfonate (CAS: 165049-28-5)?
This is a complex organic compound with a chemical structure that includes a pyrrolo[2,3-d]pyrimidine ring, an aminium group, and a 4-methylbenzenesulfonate group. It is primarily used in research and pharmaceuticals for its potential biological activity.

What are the main uses of 5-[2-(4-{[(2S)-1,5-Diethoxy-1,5-dioxo-2-pentanyl]carbamoyl}phenyl)ethyl]-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-2-aminium 4-methylbenzenesulfonate (CAS: 165049-28-5)?
This compound is mainly used in research and pharmaceutical applications, particularly for its potential as an inhibitor or activator of certain enzymes and receptors.

Is 5-[2-(4-{[(2S)-1,5-Diethoxy-1,5-dioxo-2-pentanyl]carbamoyl}phenyl)ethyl]-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-2-aminium 4-methylbenzenesulfonate (CAS: 165049-28-5) safe?
This compound is generally safe when handled with appropriate precautions. It should be stored in a cool, dry place away from direct sunlight and flammable materials. Protective gloves and eye protection are recommended during handling.

How should 5-[2-(4-{[(2S)-1,5-Diethoxy-1,5-dioxo-2-pentanyl]carbamoyl}phenyl)ethyl]-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-2-aminium 4-methylbenzenesulfonate (CAS: 165049-28-5) be stored?
This compound should be stored in a cool, dry place away from direct sunlight and flammable materials. It should be kept in a tightly sealed container to protect it from moisture and air exposure.

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5-[2-(4-{[(2S)-1,5-Diethoxy-1,5-dioxo-2-pentanyl]carbamoyl}phenyl)ethyl]-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-2-aminium 4-methylbenzenesulfonate — ShenZhenAiTaHuaXue Co Ltd

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5-[2-(4-{[(2S)-1,5-Diethoxy-1,5-dioxo-2-pentanyl]carbamoyl}phenyl)ethyl]-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-2-aminium 4-methylbenzenesulfonate — ShangHaiChuangSai Technology Co Ltd

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