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AWL 60

CAT: 0804-HY-P2052Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-P2052Size:1 Each
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Description
AWL 60 is a compound with SP antagonist and weak opioid agonist properties, which can antagonize SP-agonists in vitro and attenuate the decrease in blood pressure caused by SP-agonists in vivo.
CAS Number
140716-14-9
UNSPSC
12352209
Target
Neurokinin Receptor; Opioid Receptor
Type
Peptides
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/awl-60.html
Smiles
CSCC[C@@H](C(N)=O)NC([C@@H](CC1=CNC2=C1C=CC=C2)NC([C@@H](CC3=CC=CC=C3)NC([C@H](CC4=CC=CC=C4)NC([C@@H](CC5=CC=CC=C5)NC([C@H]6N(C([C@H](CC7=CC=C(O)C=C7)N)=O)CCC6)=O)=O)=O)=O)=O
Molecular Formula
C57H65N9O8S
Molecular Weight
1036.25
References & Citations
[1]Bifunctional pharmacophores. Biological activities of the peptide analog containing both casomorphine-like and substance P antagonist-like active elements
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Awl 60

amino acid sequence given in first source; a non-competitive antagonist of substance P (6-11)

CAS Number140716-14-9
PubChem CID3083326
IUPAC Name(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2R)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
Molecular FormulaC57H65N9O8S
Molecular Weight1036.2
XLogP5.4
Topological Polar Surface Area296
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count10
Rotatable Bond Count25
Heavy Atom Count75
Formal Charge0
Complexity1870
SMILES
CSCC[C@@H](C(=O)N)NC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@@H](CC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CC7=CC=C(C=C7)O)N
InChI
InChI=1S/C57H65N9O8S/c1-75-29-27-45(51(59)68)61-55(72)49(34-40-35-60-44-21-12-11-20-42(40)44)64-53(70)47(32-37-16-7-3-8-17-37)62-52(69)46(31-36-14-5-2-6-15-36)63-54(71)48(33-38-18-9-4-10-19-38)65-56(73)50-22-13-28-66(50)57(74)43(58)30-39-23-25-41(67)26-24-39/h2-12,14-21,23-26,35,43,45-50,60,67H,13,22,27-34,58H2,1H3,(H2,59,68)(H,61,72)(H,62,69)(H,63,71)(H,64,70)(H,65,73)/t43-,45-,46-,47+,48+,49+,50-/m0/s1
InChIKey
VOMQYBALZJIZLK-URSBCDAASA-N
Chemical Structure
2D Structure
2D structure of Awl 60
CAS: 140716-14-9
CID: 3083326
Formula: C57H65N9O8S
MW: 1036.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1036.2
XLogP35.4
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count10
Rotatable Bond Count25
Exact Mass1035.46768124
Monoisotopic Mass1035.46768124
Topological Polar Surface Area296 Ų
Heavy Atom Count75
Formal Charge0
Complexity1870
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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