WIN 66306
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| Category | Enzyme inhibitors |
| Catalog number | BBF-01636 |
| CAS | |
| Molecular Weight | 800.9 |
| Molecular Formula | C41H52N8O9 |
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Description
WIN 66306 is a nonpeptide antagonist of Neurokinin, which is isolated from Aspergillus sp. SC230.
Specification
| Synonyms | WIN-66306 |
| IUPAC Name | (2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]-N-[2-[[(2S)-1-[[2-[[(1R,2S)-1-hydroxy-1-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-3-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-2,3-dihydropyrrole-2-carboxamide |
| Canonical SMILES | CC(C)C(C(=O)NCC(=O)NC(C=O)C(C1=CC(=C(C=C1)O)CC=C(C)C)O)NC(=O)CNC(=O)C2CC=CN2C(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)CN |
| InChI | InChI=1S/C41H52N8O9/c1-23(2)11-12-25-16-26(13-14-33(25)51)38(55)31(22-50)47-35(53)20-45-40(57)37(24(3)4)48-36(54)21-44-39(56)32-10-7-15-49(32)41(58)30(46-34(52)18-42)17-27-19-43-29-9-6-5-8-28(27)29/h5-9,11,13-16,19,22,24,30-32,37-38,43,51,55H,10,12,17-18,20-21,42H2,1-4H3,(H,44,56)(H,45,57)(H,46,52)(H,47,53)(H,48,54)/t30-,31+,32-,37-,38+/m0/s1 |
| InChI Key | MZGWPVIVGCXMPX-QFXPHGGCSA-N |
Properties
| Appearance | White Powder |
Reference Reading
1. WIN 66306, a new neurokinin antagonist produced by an Aspergillus species: fermentation, isolation and physico-chemical properties
C J Barrow, D M Sedlock, H H Sun, R Cooper, A M Gillum J Antibiot (Tokyo). 1994 Nov;47(11):1182-7. doi: 10.7164/antibiotics.47.1182.
WIN 66306 (1a), a cyclic peptide containing a novel amino acid, was isolated as a neurokinin antagonist from an Aspergillus species, labelled SC230. Conditions that maximized the production of 1a were developed, leading also to production of the related compound WIN 68577 (2) and rosellichalasin (3). Both 2 and 3 were more active in the rat NK1 than in the human NK1 receptor binding assay, while 1a was more active at the human receptor with an inhibitor affinity constant of 7 microM.
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Bio Calculators
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2
* Total Molecular Weight:
g/mol
Tip: Chemical formula is case sensitive. C22H30N4O √ c22h30n40 ╳
