Neurokinin A

Base Information

• Chemical Name: Neurokinin A
• CAS No.: 86933-74-6
• Deprecated CAS: 144747-18-2,88507-24-8
• Molecular Formula: C50H80 N14 O14 S
• Molecular Weight: 1133.34
• UNII: 94168F9W1D
• DSSTox Substance ID: DTXSID701027125
• Nikkaji Number: J258.433F
• Wikipedia: Neurokinin_A
• ChEMBL ID: CHEMBL217406
• Mol file: 86933-74-6.mol

Synonyms:Neurokinin A;Neurokinin alpha;Neuromedin L;Substance K

Chemical Property of Neurokinin A

Chemical Property:

• Appearance/Colour: White to off-white lyophilized solid
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.58
• Boiling Point: 1610.7 °C at 760 mmHg
• PKA: 4.17±0.10(Predicted)
• Flash Point: 927.9 °C
• PSA: 488.77000
• Density: 1.305 g/cm³
• LogP: 1.05310
• Storage Temp.: −20°C
• Water Solubility.: Soluble in water at 1mg/ml
• XLogP3: -4.8
• Hydrogen Bond Donor Count: 16
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 37
• Exact Mass: 1132.56991445
• Heavy Atom Count: 79
• Complexity: 2030

Purity/Quality:

99% ^*data from raw suppliers

NKA ^*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(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(CC2=CN=CN2)N
• Isomeric SMILES: C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CN=CN2)N)O
• Uses: Neurokinin A is an endogenous tachykinin agonist with preference for the NK-2R.

Technology Process of Neurokinin A

There total 3 articles about Neurokinin A 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:

C91H118N14O20S2 → neurokinin α (86933-74-6)

Guidance literature:

With hydrogen fluoride; methoxybenzene; In dimethyl sulfoxide; at 0 ℃; for 1h;

DOI:10.1246/cl.1984.1013

Reference yield:

C88H128N14O18S → neurokinin A (86933-74-6)

Guidance literature:

With chlorotriisopropylsilane; trifluoroacetic acid; In water; at 20 ℃; for 1h;

DOI:10.1002/adsc.201200694

Reference yield:

C50H78N13O14PolS → neurokinin A (86933-74-6)

Guidance literature:

With chlorotriisopropylsilane; water; trifluoroacetic acid; phenol; for 2h; solid phase reaction;

DOI:10.1016/j.jinorgbio.2010.03.016

Refernces

• 1、 Kowalik-Jankowska, Teresa,Jankowska, Elzbieta,Szewczuk, Zbigniew,Kasprzykowski, Franciszek. "Coordination abilities of neurokinin A and its derivative and products of metal-catalyzed oxidation". experimental part. p. 831 - 842. Retrieved 2011/12/03.