[3R-(3alpha,6beta,9beta,17alpha,18alpha)]-6-(Carbamoylmethyl)-9,14-diisobutyl-3,18-dimethyl-17-(phenylacetyl-L-phenylalanyl-L-threonylamino)-1-oxa-4,7,10,15-tetraazacyclooctadecane-2,5,8,11,12,13,16-heptaone

Base Information

Chemical Name:[3R-(3alpha,6beta,9beta,17alpha,18alpha)]-6-(Carbamoylmethyl)-9,14-diisobutyl-3,18-dimethyl-17-(phenylacetyl-L-phenylalanyl-L-threonylamino)-1-oxa-4,7,10,15-tetraazacyclooctadecane-2,5,8,11,12,13,16-heptaone
CAS No.:157951-38-7
Molecular Formula:C₄₆H₆₂N₈O₁₃
Molecular Weight:935.044
Hs Code.:

[3R-(3alpha,6beta,9beta,17alpha,18alpha)]-6-(Carbamoylmethyl)-9,14-diisobutyl-3,18-dimethyl-17-(phenylacetyl-L-phenylalanyl-L-threonylamino)-1-oxa-4,7,10,15-tetraazacyclooctadecane-2,5,8,11,12,13,16-heptaone

Synonyms:D-Alanine,N-(phenylacetyl)-L-phenylalanyl-L-threonyl-L-threonyl-(4S)-4-amino-6-methyl-2,3-dioxoheptanoyl-L-leucyl-L-asparaginyl-,(7®3)-lactone (9CI); D-Alanine,N-[N2-[N-[6-methyl-1,2,3-trioxo-4-[[N-[N-[N-(phenylacetyl)-L-phenylalanyl]-L-threonyl]-L-threonyl]amino]heptyl]-L-leucyl]-L-asparaginyl]-,p-lactone; YM 47141

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Chemical Property of [3R-(3alpha,6beta,9beta,17alpha,18alpha)]-6-(Carbamoylmethyl)-9,14-diisobutyl-3,18-dimethyl-17-(phenylacetyl-L-phenylalanyl-L-threonylamino)-1-oxa-4,7,10,15-tetraazacyclooctadecane-2,5,8,11,12,13,16-heptaone

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Technology Process of [3R-(3alpha,6beta,9beta,17alpha,18alpha)]-6-(Carbamoylmethyl)-9,14-diisobutyl-3,18-dimethyl-17-(phenylacetyl-L-phenylalanyl-L-threonylamino)-1-oxa-4,7,10,15-tetraazacyclooctadecane-2,5,8,11,12,13,16-heptaone

There total 16 articles about [3R-(3alpha,6beta,9beta,17alpha,18alpha)]-6-(Carbamoylmethyl)-9,14-diisobutyl-3,18-dimethyl-17-(phenylacetyl-L-phenylalanyl-L-threonylamino)-1-oxa-4,7,10,15-tetraazacyclooctadecane-2,5,8,11,12,13,16-heptaone 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: 89.0%

: 221198-28-3
N-[N(phenylacetyl)-Phe-Thr]-Thr-{N-[(4S)-4-amino-6-methyl-3-oxo-2-(triphenylphosphoranylidene)heptanoyl]-Leu}-Asn-D-Ala (threonine hydroxy) lactone

: 157951-38-7
YM-47141

Guidance literature:: With ozone; In dichloromethane; at -78 ℃; for 0.0333333h;
DOI:10.1021/ja9840302

Reference yield:

: {N-[2-(triphenylphosphonium)acetyl]-Leu-OBn} bromide

: 157951-38-7
YM-47141

Guidance literature:: Multi-step reaction with 10 steps

1: Et₃N / CH₂Cl₂

2: 9.08 g / 1,1'-carbonyldiimidazole / CH₂Cl₂ / 24 h / 23 °C

3: 78 percent / N-[3-(dimethylamino)propyl]-N'-ethylcarbodiimide; 1-hydroxybenzotriazole; Et₃N / CH₂Cl₂ / 22 h / 0 - 23 °C

4: piperidine / dimethylformamide / 1 h / 23 °C

5: 4.40 g / N-[3-(dimethylamino)propyl]-N'-ethylcarbodiimide; 1-hydroxybenzotriazole; Et₃N / CH₂Cl₂ / 18 h / 0 - 23 °C

6: H₂ / Pd/C / methanol / 24 h / 23 °C / 760 Torr

7: 1.70 g / diphenylphosphoryl azide; NaHCO₃ / dimethylformamide / 72 h / 0 °C

8: TFA; anisole / 3 h / 23 °C

9: 222 mg / N-[3-(dimethylamino)propyl]-N'-ethylcarbodiimide; 1-hydroxybenzotriazole; Et₃N / CH₂Cl₂ / 36 h / 23 °C

10: 89 percent / O₃ / CH₂Cl₂ / 0.03 h / -78 °C

With piperidine; diphenylphosphoranyl azide; hydrogen; sodium hydrogencarbonate; benzotriazol-1-ol; ozone; methoxybenzene; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; triethylamine; 1,1'-carbonyldiimidazole; trifluoroacetic acid; palladium on activated charcoal; In methanol; dichloromethane; N,N-dimethyl-formamide; 1: Elimination / 2: Condensation / 3: Condensation / 4: Elimination / 5: Condensation / 6: Hydrogenolysis / 7: Cyclization / 8: Elimination / 9: Condensation / 10: ozonolysis;
DOI:10.1002/1522-2675(20000906)83:9<2607::AID-HLCA2607>3.0.CO;2-B

Reference yield:

: 221198-00-1
N-((S)-4-{[(tert-butoxy)carbonyl]amino}-6-methyl-3-oxo-2-(triphenylphosphoranylidene)heptanoyl)-Leu-OBn

: 157951-38-7
YM-47141

Guidance literature:: Multi-step reaction with 8 steps

1: 78 percent / N-[3-(dimethylamino)propyl]-N'-ethylcarbodiimide; 1-hydroxybenzotriazole; Et₃N / CH₂Cl₂ / 22 h / 0 - 23 °C

2: piperidine / dimethylformamide / 1 h / 23 °C

3: 4.40 g / N-[3-(dimethylamino)propyl]-N'-ethylcarbodiimide; 1-hydroxybenzotriazole; Et₃N / CH₂Cl₂ / 18 h / 0 - 23 °C

4: H₂ / Pd/C / methanol / 24 h / 23 °C / 760 Torr

5: 1.70 g / diphenylphosphoryl azide; NaHCO₃ / dimethylformamide / 72 h / 0 °C

6: TFA; anisole / 3 h / 23 °C

7: 222 mg / N-[3-(dimethylamino)propyl]-N'-ethylcarbodiimide; 1-hydroxybenzotriazole; Et₃N / CH₂Cl₂ / 36 h / 23 °C

8: 89 percent / O₃ / CH₂Cl₂ / 0.03 h / -78 °C

With piperidine; diphenylphosphoranyl azide; hydrogen; sodium hydrogencarbonate; benzotriazol-1-ol; ozone; methoxybenzene; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; triethylamine; trifluoroacetic acid; palladium on activated charcoal; In methanol; dichloromethane; N,N-dimethyl-formamide; 1: Condensation / 2: Elimination / 3: Condensation / 4: Hydrogenolysis / 5: Cyclization / 6: Elimination / 7: Condensation / 8: ozonolysis;
DOI:10.1002/1522-2675(20000906)83:9<2607::AID-HLCA2607>3.0.CO;2-B