Substance P

Base Information

• Chemical Name: Substance P
• CAS No.: 33507-63-0
• Deprecated CAS: 11035-08-8,12769-48-1
• Molecular Formula: C63H98N18O13S
• Molecular Weight: 1347.65
• European Community (EC) Number: 251-545-8
• Nikkaji Number: J21.694A
• Wikipedia: Substance_P
• Wikidata: Q411041
• ChEMBL ID: CHEMBL235363
• Mol file: 33507-63-0.mol

Synonyms:Euler Gaddum Substance P;Euler-Gaddum Substance P;Hypothalamic Substance P;SP(1-11);Substance P;Substance P, Euler-Gaddum;Substance P, Hypothalamic

Chemical Property of Substance P

Chemical Property:

• Appearance/Colour: white powder
• Melting Point: 148 °C
• PKA: 13.26±0.46(Predicted)
• PSA: 544.43000
• Density: 1.42 g/cm³
• LogP: 4.19410
• Storage Temp.: −20°C
• Solubility.: H2O: 1 mg/mL
• Water Solubility.: Soluble in water, DMSO, and Acetic Acid.
• XLogP3: -2.3
• Hydrogen Bond Donor Count: 15
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 42
• Exact Mass: 1346.72814643
• Heavy Atom Count: 95
• Complexity: 2620

Purity/Quality:

99% ^*data from raw suppliers

Substance P [Tyr8] ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

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)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C3CCCN3C(=O)C(CCCCN)NC(=O)C4CCCN4C(=O)C(CCCN=C(N)N)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)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCN=C(N)N)N

Technology Process of Substance P

There total 6 articles about Substance P 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: 65.4%

Z-Arg(NO2)-Pro-Lys(Z)-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2 (42001-61-6) → Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2*3CH3COOH (49538-03-6,135607-94-2,137348-11-9,33507-63-0)

Guidance literature:

With hydrogen; palladium; In formic acid; water; for 2h;

Reference yield:

C67H107N18O13S(1+)*I(1-) → substance P (33507-63-0)

Guidance literature:

With water; at 40 ℃; for 2h;

DOI:10.1016/S0040-4039(00)89163-7

Reference yield:

methylene chloride (74-87-3) + C62H93N17O13S (98264-76-7) → substance P (33507-63-0)

Guidance literature:

In ammonium hydroxide;

DOI:10.1016/S0040-4039(00)89163-7

upstream raw materials:

methylene chloride

C₆₂H₉₃N₁₇O₁₃S

BOC-glycine

N-tert-butoxycarbonyl-L-leucine

Downstream raw materials:

Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH₂

C₇₃H₁₂₁N₂₁O₁₃S

Refernces

• 1、 Sivanandaiah, K. M.,Rangaraju, N. S.. "Solid Phase Synthesis of Substance P and Its Analogues Employing 9-Fluorenylmethoxycarbonylamino Acid Active Esters". . p. 1045 - 1049. Retrieved 2007/10/02.
• 2、 Chassaing,Lavielle,Julien,Marquet. "Homocysteine thiolactone as precursor of methionine amide: Application to the modification of peptides of the tachykinin family". . p. 623 - 626. Retrieved 2007/10/02.