Cbz-Val-Ala-H

Base Information

• Chemical Name: Cbz-Val-Ala-H
• CAS No.: 24787-89-1
• Molecular Formula: C₁₆H₂₂N₂O₅
• Molecular Weight: 322.361
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID30947696
• Wikidata: Q72515276
• Mol file: 24787-89-1.mol

Synonyms:Cbz-Val-Ala-H;Cbz-Val-Trp-H;N-(N-((Phenylmethoxy)carbonyl)-L-valyl)-L-alanine, aldehyde deriv.;N-[N-[(Phenylmethoxy)carbonyl]-L-valyl]-L-alanine, aldehyde deriv.;N-(N-((Phenylmethoxy)carbonyl)-L-valyl)-L-tryptophan, aldehyde deriv.;N-[N-[(Phenylmethoxy)carbonyl]-L-valyl]-L-tryptophan, aldehyde deriv.;DTXSID30947696;NSC 343732;2-{[(Benzyloxy)(hydroxy)methylidene]amino}-3-methyl-N-(1-oxopropan-2-yl)butanimidic acid

Chemical Property of Cbz-Val-Ala-H

Chemical Property:

• Melting Point: 165 °C(Solv: ethyl ether (60-29-7); ligroine (8032-32-4))
• Boiling Point: 513.5°Cat760mmHg
• PKA: 3.49±0.10(Predicted)
• Flash Point: 264.4°C
• PSA: 104.73000
• Density: 1.13g/cm³
• LogP: 2.30850
• Storage Temp.: -15°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 306.15795719
• Heavy Atom Count: 22
• Complexity: 378

Purity/Quality:

97% ^*data from raw suppliers

Z-Val-Ala-OH ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(=O)NC(C)C=O)NC(=O)OCC1=CC=CC=C1
• Isomeric SMILES: C[C@@H](C=O)NC(=O)[C@H](C(C)C)NC(=O)OCC1=CC=CC=C1
• Uses: Z-Val-Ala-OH is a useful reagent in the preparation and biological evaluation of peptide amide conjugates of nucleosides as prodrugs that are converted to parent drugs by action of DPPIV/CD26. Synthesis and evaluation of diacylhydrazines as inhibitors of the interleukin-1β converting enzyme.

Technology Process of Cbz-Val-Ala-H

There total 7 articles about Cbz-Val-Ala-H which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

L-alanin (56-41-7,25191-17-7,18875-37-1) + C24H24N4O4 → (S)-2-((S)-2-(((benzyloxy)carbonyl)amino)-3-methylbutanamido)propanoic acid (17445-33-9,17445-34-0,24787-89-1,121428-71-5)

Guidance literature:

With 1-ethyl-2,2,4,4,4-pentakis(dimethylamino)-2λ⁵,4λ⁵-catenadi(phosphazene); In acetonitrile; at 20 ℃; for 0.0833333h;

DOI:10.1021/ol020136x

Reference yield:

benzyloxycarbonyl-L-valyl-L-alanine methyl ester (22221-83-6,26061-12-1,83703-83-7,83707-68-0,4817-92-9) → (S)-2-((S)-2-(((benzyloxy)carbonyl)amino)-3-methylbutanamido)propanoic acid (17445-33-9,17445-34-0,24787-89-1,121428-71-5)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 17h; under 760.051 Torr;

DOI:10.1021/ol301085v

Reference yield:

(S)-N-(benzyloxycarbonyl)valine (1149-26-4) → (S)-2-((S)-2-(((benzyloxy)carbonyl)amino)-3-methylbutanamido)propanoic acid (17445-33-9,17445-34-0,24787-89-1,121428-71-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 86 percent / EDC; DMAP / CH₂Cl₂ / 2 h / 20 °C

2: 90 percent / Me₂NP(NMe₂)(=NEt)N=P(NMe₂)3 / acetonitrile / 0.08 h / 20 °C

With dmap; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; 1-ethyl-2,2,4,4,4-pentakis(dimethylamino)-2λ⁵,4λ⁵-catenadi(phosphazene); In dichloromethane; acetonitrile;

DOI:10.1021/ol020136x

upstream raw materials:

Z-L-Val-L-Ala-OEt

L-alanin

(S)-N-(benzyloxycarbonyl)valine

benzyloxycarbonyl-L-valyl-L-alanine methyl ester

Downstream raw materials:

Z-L-Val-L-Ala-OEt

C₁₆H₂₂N₂O₄S

N-(benzyloxycarbonyl)-L-leucyl-L-valcyl-L-alanine methyl ester

(3S,6S)-3-methyl-6-(1-methylethyl)piperazine-2,5-dione

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