(1R,1'S,3'R/1R,1'R,3'S)-L-054,264

Base Information

• Chemical Name: (1R,1'S,3'R/1R,1'R,3'S)-L-054,264
• CAS No.: 208706-12-1
• Molecular Formula: C₃₃H₄₁N₅O₂
• Molecular Weight: 539.721
• Mol file: 208706-12-1.mol

Synonyms:(1R,1'S,3'R/1R,1'R,3'S)-L-054,264;N-[(1R)-2-[[[(1S*,3R*)-3-(AMINOMETHYL)CYCLOHEXYL]METHYL]AMINO]-1-(1H-INDOL-3-YLMETHYL)-2-OXOETHYL]SPIRO[1H-INDENE-1,4'-PIPERIDINE]-1'-CARBOXAMIDE;(1R,1'R,3'R/1R,1'S)-L-054,264;S,3'

Chemical Property of (1R,1'S,3'R/1R,1'R,3'S)-L-054,264

Chemical Property:

• PSA: 103.25000
• LogP: 6.15050
• Storage Temp.: Store at +4°C

Purity/Quality:

99.3% ^*data from raw suppliers

N-?[(1R)?-?2-?[[[3-?(Aminomethyl)?cyclohexyl]?methyl]?amino]?-?1-?(1H-?indol-?3-?ylmethyl)?-?2-?oxoethyl]?-spiro[1H-?indene-?1,?4''-?piperidine]?-?1''-?carboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Somatostatin receptors are often overexpressed in tumours and are potential therapeutic targets. Somatostatin receptor agonists can be used to study signaling pathways related somatostatin receptor.N-?[(1R)?-?2-?[[[3-?(Aminomethyl)?cyclohexyl]?methyl]?amino]?-?1-?(1H-?indol-?3-?ylmethyl)?-?2-?oxoethyl]?-spiro[1H-?indene-?1,?4''-?piperidine]?-?1''-?carboxamide is a selective somatostatin sst2 receptor agonist.

Technology Process of (1R,1'S,3'R/1R,1'R,3'S)-L-054,264

There total 14 articles about (1R,1'S,3'R/1R,1'R,3'S)-L-054,264 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:

3-Cyanobenzoic acid (1877-72-1) → C33H41N5O2 (208706-12-1)

Guidance literature:

Multi-step reaction with 10 steps

1: NH₃ / Raney Ni / ethanol / 51714.8 Torr

2: aq. NaOH / dioxane

3: H₂, AcOH / PtO₂ / 2585.7 Torr

5: BH₃ / tetrahydrofuran

6: DMAP, i-Pr₂NEt / CH₂Cl₂

7: NaN₃ / dimethylformamide; H₂O / 60 °C

8: H₂ / 10percent Pd/C / ethanol

9: EDC, HOBT / CH₂Cl₂

10: HCl / ethyl acetate

With hydrogenchloride; dmap; sodium hydroxide; sodium azide; borane; ammonia; hydrogen; benzotriazol-1-ol; acetic acid; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; N-ethyl-N,N-diisopropylamine; platinum(IV) oxide; palladium on activated charcoal; nickel; In tetrahydrofuran; 1,4-dioxane; ethanol; dichloromethane; water; ethyl acetate; N,N-dimethyl-formamide;

DOI:10.1021/jm980194h

Reference yield:

3-aminomethylbenzoic acid (2393-20-6) → C33H41N5O2 (208706-12-1)

Guidance literature:

Multi-step reaction with 9 steps

1: aq. NaOH / dioxane

2: H₂, AcOH / PtO₂ / 2585.7 Torr

4: BH₃ / tetrahydrofuran

5: DMAP, i-Pr₂NEt / CH₂Cl₂

6: NaN₃ / dimethylformamide; H₂O / 60 °C

7: H₂ / 10percent Pd/C / ethanol

8: EDC, HOBT / CH₂Cl₂

9: HCl / ethyl acetate

With hydrogenchloride; dmap; sodium hydroxide; sodium azide; borane; hydrogen; benzotriazol-1-ol; acetic acid; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; N-ethyl-N,N-diisopropylamine; platinum(IV) oxide; palladium on activated charcoal; In tetrahydrofuran; 1,4-dioxane; ethanol; dichloromethane; water; ethyl acetate; N,N-dimethyl-formamide;

DOI:10.1021/jm980194h

Reference yield:

3-(tert-butoxycarbonylamino-methyl)benzoic acid (117445-22-4) → C33H41N5O2 (208706-12-1)

Guidance literature:

Multi-step reaction with 8 steps

1: H₂, AcOH / PtO₂ / 2585.7 Torr

3: BH₃ / tetrahydrofuran

4: DMAP, i-Pr₂NEt / CH₂Cl₂

5: NaN₃ / dimethylformamide; H₂O / 60 °C

6: H₂ / 10percent Pd/C / ethanol

7: EDC, HOBT / CH₂Cl₂

8: HCl / ethyl acetate

With hydrogenchloride; dmap; sodium azide; borane; hydrogen; benzotriazol-1-ol; acetic acid; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; N-ethyl-N,N-diisopropylamine; platinum(IV) oxide; palladium on activated charcoal; In tetrahydrofuran; ethanol; dichloromethane; water; ethyl acetate; N,N-dimethyl-formamide;

DOI:10.1021/jm980194h

upstream raw materials:

3-Cyanobenzoic acid

3-aminomethylbenzoic acid

spiro[indene-1,4'-piperidine]

3-(tert-butoxycarbonylamino-methyl)benzoic acid