Fmoc-Val-Ala-PAB-PNP

Basic Information

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CAS Number

1394238-92-6

Molecular Formula

C37H36N4O9

Molecular Weight

680.7 g/mol

Basic Physical Properties

Boiling Point

931.4±65.0 °C(Predicted)

Density

1.322±0.06 g/cm3(Predicted)

SMILES

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O=C(N[C@H](C(=O)N[C@H](C(=O)Nc1ccc(cc1)COC(=O)Oc1ccc(cc1)N(=O)=O)C)C(C)C)OCC1c2ccccc2c2c1cccc2

InChI

InChI=1S/C37H36N4O9/c1-22(2)33(40-36(44)48-21-32-30-10-6-4-8-28(30)29-9-5-7-11-31(29)32)35(43)38-23(3)34(42)39-25-14-12-24(13-15-25)20-49-37(45)50-27-18-16-26(17-19-27)41(46)47/h4-19,22-23,32-33H,20-21H2,1-3H3,(H,38,43)(H,39,42)(H,40,44)/t23-,33-/m0/s1

InChIKey

ZJHZWBDLYYJQAV-WYOOIXGGSA-N

LogP

6.316900000000006

pKa

10.63±0.46(Predicted)

Topological Polar Surface Area

175.20000000000002 Å²

Hydrogen Bond Donor/Acceptor

3 / 13

Complexity

1160

Synonyms & References

English

(9H-Fluoren-9-yl)methyl ((S)-3-methyl-1-(((S)-1-((4-((((4-nitrophenoxy)carbonyl)oxy)methyl)phenyl)amino)-1-oxopropan-2-yl)amino)-1-oxobutan-2-yl)carbamate
[4-[[(2S)-2-[[(2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]propanoyl]amino]ph
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-valyl-N-[4-({[(4-nitrophenoxy)carbonyl]oxy}methyl)phenyl]-L-a

MDL Number

MFCD28557283

FAQ

What are the physical and chemical properties of Fmoc-Val-Ala-PAB-PNP (CAS: 1394238-92-6)?

Fmoc-Val-Ala-PAB-PNP (CAS: 1394238-92-6) is a crystalline solid with a molecular weight of approximately 470.48 g/mol. It has a high solubility in polar solvents such as DMSO and methanol. This compound is reactive towards standard coupling reagents and is commonly used in peptide synthesis. It exhibits low reactivity towards common nucleophiles and is stable under standard synthetic conditions.

How is Fmoc-Val-Ala-PAB-PNP (CAS: 1394238-92-6) typically synthesized?

Fmoc-Val-Ala-PAB-PNP (CAS: 1394238-92-6) is synthesized through a multi-step process involving the coupling of Fmoc-Val-Ala-OH with PAB-PNP using standard peptide coupling reagents like HATU or DCC in the presence of a base such as DIPEA. The reaction typically proceeds with high yield and selectivity, making it a reliable method for preparing this compound.

What industries use Fmoc-Val-Ala-PAB-PNP (CAS: 1394238-92-6)?

Fmoc-Val-Ala-PAB-PNP (CAS: 1394238-92-6) is primarily used in the pharmaceutical industry for peptide synthesis. It is also utilized in research and development of biomaterials and sensors due to its specific functional groups and chemical reactivity.

What precautions should be taken when handling Fmoc-Val-Ala-PAB-PNP (CAS: 1394238-92-6)?

When handling Fmoc-Val-Ala-PAB-PNP (CAS: 1394238-92-6), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood to minimize exposure to fumes. Spills should be immediately cleaned up with appropriate cleaning agents, and the area should be decontaminated. Always refer to the safety data sheet (SDS) for specific handling and disposal instructions.