cyclo[DL-N(Me)Ala-bAla(2-Me,3-Et)-DL-OxiIle-Gly-DL-N(Me)Leu-Gly-DL-N(Me)Val-DL-N(Me)Tyr(Me)-DL-Ala-Unk]

Base Information

Chemical Name:cyclo[DL-N(Me)Ala-bAla(2-Me,3-Et)-DL-OxiIle-Gly-DL-N(Me)Leu-Gly-DL-N(Me)Val-DL-N(Me)Tyr(Me)-DL-Ala-Unk]
CAS No.:213530-40-6
Molecular Formula:C51H82N8O12
Molecular Weight:999.2432
Hs Code.:
Wikidata:Q82921094

Synonyms:lyngbyastatin 1

Suppliers and Price of cyclo[DL-N(Me)Ala-bAla(2-Me,3-Et)-DL-OxiIle-Gly-DL-N(Me)Leu-Gly-DL-N(Me)Val-DL-N(Me)Tyr(Me)-DL-Ala-Unk]

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of cyclo[DL-N(Me)Ala-bAla(2-Me,3-Et)-DL-OxiIle-Gly-DL-N(Me)Leu-Gly-DL-N(Me)Val-DL-N(Me)Tyr(Me)-DL-Ala-Unk]

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:1201.5°C at 760 mmHg
PKA:12.51±0.70(Predicted)
Flash Point:680.5°C
PSA：264.20000
Density:1.055g/cm³
LogP:2.95770
XLogP3:5.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:9
Exact Mass:998.60522008
Heavy Atom Count:71
Complexity:1900

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1C(C(=O)OC(C(=O)NCC(=O)N(C(C(=O)NCC(=O)N(C(C(=O)N(C(C(=O)NC(C(=O)C(C(=O)N(C(C(=O)N1)C)C)(C)C)C)CC2=CC=C(C=C2)OC)C)C(C)C)C)CC(C)C)C)C(C)CC)C

Technology Process of cyclo[DL-N(Me)Ala-bAla(2-Me,3-Et)-DL-OxiIle-Gly-DL-N(Me)Leu-Gly-DL-N(Me)Val-DL-N(Me)Tyr(Me)-DL-Ala-Unk]

There total 10 articles about cyclo[DL-N(Me)Ala-bAla(2-Me,3-Et)-DL-OxiIle-Gly-DL-N(Me)Leu-Gly-DL-N(Me)Val-DL-N(Me)Tyr(Me)-DL-Ala-Unk] 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:

: 187807-02-9
C₅₂H₈₀N₆O₁₂

: 213530-40-6
Ibu-epilyngbyastatin 1

Guidance literature:: Multi-step reaction with 5 steps

1: 100 percent / H₂ / Pd/C / CH₂Cl₂ / 2 h / 760.05 Torr

2: 79 percent / i-Pr₂NEt; O-benzotriazol-1-yl-N,N,N',N'-tetramethyluronium BF₄ / dimethylformamide / 20 h

3: 99 percent / H₂ / Pd/C / CH₂Cl₂ / 2 h / 760.05 Torr

4: TFA

5: 1.8 mg / Et₃N; O-benzotriazol-1-yl-N,N,N',N'-tetramethyluronium PF₆ / dimethylformamide / 7 h

With hydrogen; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; triethylamine; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; palladium on activated charcoal; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/np020117w

Reference yield:

: 187807-02-9
C₅₂H₈₀N₆O₁₂

: 213530-40-6
lyngbyastatin 1

Guidance literature:: Multi-step reaction with 5 steps

1: 100 percent / H₂ / Pd/C / CH₂Cl₂ / 2 h / 760.05 Torr

2: 79 percent / i-Pr₂NEt; O-benzotriazol-1-yl-N,N,N',N'-tetramethyluronium BF₄ / dimethylformamide / 20 h

3: 99 percent / H₂ / Pd/C / CH₂Cl₂ / 2 h / 760.05 Torr

4: TFA

5: 1.8 mg / Et₃N; O-benzotriazol-1-yl-N,N,N',N'-tetramethyluronium PF₆ / dimethylformamide / 7 h

With hydrogen; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; triethylamine; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; palladium on activated charcoal; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/np020117w

Reference yield:

: 478362-98-0
C₄₅H₇₄N₆O₁₂

: 213530-40-6
Ibu-epilyngbyastatin 1

Guidance literature:: Multi-step reaction with 4 steps

1: 79 percent / i-Pr₂NEt; O-benzotriazol-1-yl-N,N,N',N'-tetramethyluronium BF₄ / dimethylformamide / 20 h

2: 99 percent / H₂ / Pd/C / CH₂Cl₂ / 2 h / 760.05 Torr

3: TFA

4: 1.8 mg / Et₃N; O-benzotriazol-1-yl-N,N,N',N'-tetramethyluronium PF₆ / dimethylformamide / 7 h

With hydrogen; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; triethylamine; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; palladium on activated charcoal; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/np020117w