Substance P (7-11)

Base Information

• Chemical Name: Substance P (7-11)
• CAS No.: 51165-05-0
• Molecular Formula: C31H44N6O5S
• Molecular Weight: 612.78300
• DSSTox Substance ID: DTXSID70965435
• Nikkaji Number: J274.731F
• Wikidata: Q82947629
• Mol file: 51165-05-0.mol

Synonyms:SP(7-11);substance P (7-11)

Chemical Property of Substance P (7-11)

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1003.3oC at 760 mmHg
• PKA: 13.26±0.46(Predicted)
• Flash Point: 560.6oC
• PSA: 210.81000
• Density: 1.207g/cm3
• LogP: 3.61840
• Storage Temp.: -15°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 18
• Exact Mass: 612.30938970
• Heavy Atom Count: 43
• Complexity: 907

Purity/Quality:

97% ^*data from raw suppliers

Substance P (7-11) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)N
• Isomeric SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)N

Technology Process of Substance P (7-11)

There total 9 articles about Substance P (7-11) 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:

N-t-Boc-Phe-Phe-Gly-Leu-Met-NH2 (73148-99-9) → H-Phe-Phe-Gly-Leu-Met-NH2 (51165-05-0,78081-73-9)

Guidance literature:

With methoxybenzene; trifluoroacetic acid; In dichloromethane; at 0 ℃; for 1h;

DOI:10.1016/0223-5234(88)90006-2

Reference yield:

N-tert-butoxycarbonyl-L-phenylalanine (13734-34-4) → H-Phe-Phe-Gly-Leu-Met-NH2 (51165-05-0,78081-73-9)

Guidance literature:

Multi-step reaction with 4 steps

1: 70 percent / NMM, IBCF / dimethylformamide / -15 °C

2: 85 percent / 1N NaOH / dioxane; methanol / 0 deg C, 5 h, RT

3: 54.6 percent / IBCF, NMMole / dimethylformamide / -20 °C

4: TFA, anisole / CH₂Cl₂ / 1 h / 0 °C

With 4-methyl-morpholine; sodium hydroxide; methoxybenzene; trifluoroacetic acid; isobutyl chloroformate; In 1,4-dioxane; methanol; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1016/0223-5234(88)90006-2

Reference yield:

N-tert-butoxycarbonyl-L-leucine (13139-15-6,53296-34-7) → H-Phe-Phe-Gly-Leu-Met-NH2 (51165-05-0,78081-73-9)

Guidance literature:

Multi-step reaction with 4 steps

1: 93.6 percent / NMM, IBCF / dimethylformamide / -20 °C

2: TFA, anisole / CH₂Cl₂ / 1 h / 0 °C

3: 54.6 percent / IBCF, NMMole / dimethylformamide / -20 °C

4: TFA, anisole / CH₂Cl₂ / 1 h / 0 °C

With 4-methyl-morpholine; methoxybenzene; trifluoroacetic acid; isobutyl chloroformate; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1016/0223-5234(88)90006-2

upstream raw materials:

N-t-Boc-Phe-Phe-Gly-Leu-Met-NH₂

N-tert-butoxycarbonyl-L-leucine

N-tert-butoxycarbonyl-L-leucyl-L-methioninamide

N-tert-butoxycarbonyl-L-phenylalanine

Downstream raw materials:

pentadecanoyl-Phe-Phe-Gly-Leu-Met-NH₂

(S)-4-Methyl-2-{2-[(S)-3-phenyl-2-((S)-3-phenyl-2-phenylacetylamino-propionylamino)-propionylamino]-acetylamino}-pentanoic acid ((S)-1-carbamoyl-3-methylsulfanyl-propyl)-amide

Boc-Tyr-Phe-Phe-Gly-Leu-Met-NH₂

pyroglutamyl-phenylalanyl-phenylalanine-glycyl-leucyl-methionine amide