Products for Research Use Only

WIN 66306

CAT: 0804-HY-P10588Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-P10588Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
WIN 66306 is a cyclic heptapeptide that can be isolated from an Aspergillus species. WIN 66306 is a neurokinin antagonist with antagonistic effects on both NK1 and NK2 receptors[1][2].
CAS Number
151928-32-4
UNSPSC
12352209
Target
Neurokinin Receptor
Type
Peptides
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/win-66306.html
Smiles
O=C(N1[C@@](C(NCC(N[C@H](C(NCC(N[C@@](C(NCC(N2)=O)=O)([H])[C@@H](C3=CC(C/C=C(C)\C)=C(C=C3)O)O)=O)=O)C(C)C)=O)=O)([H])CCC1)[C@@H]2CC4=CNC5=CC=CC=C45
Molecular Formula
C41H52N8O9
Molecular Weight
800.90
References & Citations
[1]Barrow CJ, et al. WIN 66306, a new neurokinin antagonist produced by an Aspergillus species: fermentation, isolation and physico-chemical properties. J Antibiot (Tokyo) . 1994 Nov;47 (11) :1182-7.|[2]Barrow C J, et al. Structure, determination, pharmacological evaluation, and structure-activity studies of a new cyclic peptide substance P antagonist containing the new amino acid 3-prenyl-. beta.-hydroxytyrosine isolated from Aspergillus flavipes[J]. Journal of medicinal chemistry, 1994, 37 (3) : 356-363.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Win 66306

WIN 66306 is an oligopeptide.

CAS Number151928-32-4
PubChem CID9897230
IUPAC Name(3S,9S,15S,21S)-9-[hydroxy-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-3-(1H-indol-3-ylmethyl)-15-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone
Molecular FormulaC41H52N8O9
Molecular Weight800.9
XLogP2.6
Topological Polar Surface Area251
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count58
Formal Charge0
Complexity1550
SMILES
CC(C)[C@H]1C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)NCC(=O)N1)CC3=CNC4=CC=CC=C43)C(C5=CC(=C(C=C5)O)CC=C(C)C)O
InChI
InChI=1S/C41H52N8O9/c1-22(2)11-12-24-16-25(13-14-31(24)50)37(54)36-40(57)45-19-32(51)46-29(17-26-18-42-28-9-6-5-8-27(26)28)41(58)49-15-7-10-30(49)38(55)43-20-33(52)47-35(23(3)4)39(56)44-21-34(53)48-36/h5-6,8-9,11,13-14,16,18,23,29-30,35-37,42,50,54H,7,10,12,15,17,19-21H2,1-4H3,(H,43,55)(H,44,56)(H,45,57)(H,46,51)(H,47,52)(H,48,53)/t29-,30-,35-,36-,37?/m0/s1
InChIKey
BNPYZZVTLFIGQT-VUPYCZGQSA-N
Chemical Structure
2D Structure
2D structure of Win 66306
CAS: 151928-32-4
CID: 9897230
Formula: C41H52N8O9
MW: 800.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight800.9
XLogP32.6
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass800.38572527
Monoisotopic Mass800.38572527
Topological Polar Surface Area251 Ų
Heavy Atom Count58
Formal Charge0
Complexity1550
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes