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N-[6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl]-L-valyl-N~5~-carbamoyl-N-[4-({[(4-nitrophenoxy)carbonyl]oxy}methyl)phenyl]-L-ornithinamide | CAS No. 159857-81-5

N-[6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl]-L-valyl-N~5~-carbamoyl-N-[4-({[(4-nitrophenoxy)carbonyl]oxy}methyl)phenyl]-L-ornithinamide

Basic Information

Chemical_Structure_Of
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CAS Number

159857-81-5

Molecular Formula

C35H43N7O11

Molecular Weight

737.76 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 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

Boiling Point

1034.5±65.0°C at 760 mmHg

Solubility

Insuluble (3.7E-3 g/L) (25 ºC),

SMILES

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CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)Nc1ccc(cc1)COC(=O)Oc2ccc(cc2)[N+](=O)[O-])NC(=O)CCCCCN3C(=O)C=CC3=O

InChI

InChI=1S/C35H43N7O11/c1-22(2)31(40-28(43)8-4-3-5-20-41-29(44)17-18-30(41)45)33(47)39-27(7-6-19-37-34(36)48)32(46)38-24-11-9-23(10-12-24)21-52-35(49)53-26-15-13-25(14-16-26)42(50)51/h9-18,22,27,31H,3-8,19-21H2,1-2H3,(H,38,46)(H,39,47)(H,40,43)(H3,36,37,48)/t27-,31-/m0/s1

InChIKey

HYSPJPGXSALJRR-DHIFEGFHSA-N

LogP

5.21550

Complexity

1320

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

  • Mc-Val-Cit-PABC-PNP
  • Maleimidocaproyl-L-valine-L-citrulline-p-aminobenzyl alcohol p-nitrophenyl carbonate
  • MC-Val-Cit-PAB-PNP
  • MC-VC-PAB-PNP
  • 4-((S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexan
  • maleimido-caproyl-valine-citrulline-para-aminobenzyl-4-nitrophenylcarbonate
  • MC-VAL-CIT-PAB-PNB
  • N-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl]-L-valyl-N5-carbamoyl-N[4-({[(4-nitrophenoxy)carbonyl]oxy}methyl)phenyl]-L-ornithinamide
  • N-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl]-L-valyl-N5-carbamoyl-N-[4-({[(4-nitrophenoxy)carbonyl]oxy}methyl)phenyl]-L-ornithinamide
  • MC-Val-Cit-PABC
  • L-Ornithinamide
  • MC-VC-PAB-PNP,Mc-Val-Cit-PABC-PNP
  • MC-Val-Cit-PAB-PNP (ADC peptide linker)
  • Mc-Val-Cit-PABC-PNP (Maleimidocaproyl-L-valine-L-citrulline-p-aminobenzyl alcohol p-nitrophenyl carbonate)
  • [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate
  • [4-[[5-(Carbamoylamino)-2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentano

MDL Number

MFCD22200431

FAQ

What are the physical and chemical properties of N-[6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl]-L-valyl-N~5~-carbamoyl-N-[4-({[(4-nitrophenoxy)carbonyl]oxy}methyl)phenyl]-L-ornithinamide (CAS: 159857-81-5)?
N-[6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl]-L-valyl-N~5~-carbamoyl-N-[4-({[(4-nitrophenoxy)carbonyl]oxy}methyl)phenyl]-L-ornithinamide (CAS: 159857-81-5) is a crystalline compound with a high molecular weight and excellent solubility in organic solvents. It exhibits low reactivity in most conditions but can undergo hydrolysis under basic or acidic conditions. The compound is stable in air and light. It is primarily used in pharmaceutical development.

How is N-[6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl]-L-valyl-N~5~-carbamoyl-N-[4-({[(4-nitrophenoxy)carbonyl]oxy}methyl)phenyl]-L-ornithinamide (CAS: 159857-81-5) typically synthesized?
N-[6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl]-L-valyl-N~5~-carbamoyl-N-[4-({[(4-nitrophenoxy)carbonyl]oxy}methyl)phenyl]-L-ornithinamide (CAS: 159857-81-5) is synthesized through a multi-step process involving peptide coupling and cyclization. Key steps include coupling the carboxylic acid with the amino group, followed by the formation of the pyrrolidine ring. The process yields a high-quality product with excellent purity.

What industries use N-[6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl]-L-valyl-N~5~-carbamoyl-N-[4-({[(4-nitrophenoxy)carbonyl]oxy}methyl)phenyl]-L-ornithinamide (CAS: 159857-81-5)?
N-[6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl]-L-valyl-N~5~-carbamoyl-N-[4-({[(4-nitrophenoxy)carbonyl]oxy}methyl)phenyl]-L-ornithinamide (CAS: 159857-81-5) is primarily used in the pharmaceutical industry for the development of novel drugs. It is also used in the chemical research and development sector for the synthesis of complex molecules and in the production of advanced materials.

What precautions should be taken when handling N-[6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl]-L-valyl-N~5~-carbamoyl-N-[4-({[(4-nitrophenoxy)carbonyl]oxy}methyl)phenyl]-L-ornithinamide (CAS: 159857-81-5)?
When handling N-[6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl]-L-valyl-N~5~-carbamoyl-N-[4-({[(4-nitrophenoxy)carbonyl]oxy}methyl)phenyl]-L-ornithinamide (CAS: 159857-81-5), it is crucial to wear personal protective equipment (PPE) including gloves, goggles, and a lab coat. Handle in a well-ventilated area or fume hood. Avoid inhalation and contact with skin and eyes. In case of spill, neutralize with water and dispose of according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed emergency procedures.

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ShangHaiYiJi Industrial Co Ltd

CAS Number: 159857-81-5

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N-[6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl]-L-valyl-N~5~-carbamoyl-N-[4-({[(4-nitrophenoxy)carbonyl]oxy}methyl)phenyl]-L-ornithinamide — Jin Jinle (Hunan) Chemical Co., Ltd.

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N-[6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl]-L-valyl-N~5~-carbamoyl-N-[4-({[(4-nitrophenoxy)carbonyl]oxy}methyl)phenyl]-L-ornithinamide — Shanghai Zhuoyao Medicine Technology Co., Ltd.

Shanghai Zhuoyao Medicine Technology Co., Ltd.

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N-[6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl]-L-valyl-N~5~-carbamoyl-N-[4-({[(4-nitrophenoxy)carbonyl]oxy}methyl)phenyl]-L-ornithinamide — ShangHaiMaiRuiErShengHua Technology Co Ltd

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Hangzhou Beptai Biomedical Co., Ltd.

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N-[6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl]-L-valyl-N~5~-carbamoyl-N-[4-({[(4-nitrophenoxy)carbonyl]oxy}methyl)phenyl]-L-ornithinamide — HePeng （ ShangHai ） Biotechnology Co Ltd

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Beijing Solabe Technology Co., Ltd.

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N-[6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl]-L-valyl-N~5~-carbamoyl-N-[4-({[(4-nitrophenoxy)carbonyl]oxy}methyl)phenyl]-L-ornithinamide — Jixi Tanzhen Biological Technology Co., Ltd.

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N-[6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl]-L-valyl-N~5~-carbamoyl-N-[4-({[(4-nitrophenoxy)carbonyl]oxy}methyl)phenyl]-L-ornithinamide — Shanghai Jixiang Biotechnology Co., Ltd.

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