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ANQ-11125

CAT: 0804-HY-P1233Size: 1 EachDry Ice: NoHazardous: No
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Description
ANQ-11125 is a potent and selective antagonist of motilin, with the pKd of 8.24. ANQ-11125 blocks motilide-induced contractions in vitro in the rabbit[1][2].
CAS Number
153966-48-4
UNSPSC
12352209
Target
Motilin Receptor
Type
Peptides
Related Pathways
GPCR/G Protein
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/anq-11125.html
Solubility
H2O
Smiles
O=C(N[C@@H](C(C)C)C(N[C@@H](CC1=CC=CC=C1)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](CC2=CC=CC=C2)C(N[C@@H]([C@H](O)C)C(N[C@@H](CC3=CC=C(C=C3)O)C(NCC(N[C@@H](CCC(O)=O)C(N[C@@H](CC(C)C)C(N[C@@H](CCC(N)=O)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC(C)C)C(N[C@@H](CCC(N)=O)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@H](CC4=CC=CC=C4)N
Molecular Formula
C86H125N19O21
Molecular Weight
1761.03
References & Citations
[1]Depoortere I, et, al. Antagonistic properties of [Phe3, Leu13]porcine motilin. Eur J Pharmacol. 1995 Nov 24; 286 (3) :241-7.|[2]Peeters TL, et, al. The motilin antagonist ANQ-11125 blocks motilide-induced contractions in vitro in the rabbit. Biochem Biophys Res Commun. 1994 Jan 28; 198 (2) : 411-6.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

H-Phe-Val-Phe-Ile-Phe-Thr-Tyr-Gly-Glu-Leu-Gln-Arg-Leu-Gln-OH
CAS Number153966-48-4
PubChem CID90489005
IUPAC Name(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid
Molecular FormulaC86H125N19O21
Molecular Weight1761.0
XLogP0
Topological Polar Surface Area667
Hydrogen Bond Donor Count23
Hydrogen Bond Acceptor Count23
Rotatable Bond Count57
Heavy Atom Count126
Formal Charge0
Complexity3600
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC4=CC=CC=C4)N
InChI
InChI=1S/C86H125N19O21/c1-10-49(8)71(104-80(120)64(42-52-23-16-12-17-24-52)101-82(122)70(48(6)7)103-73(113)56(87)41-51-21-14-11-15-22-51)83(123)102-65(43-53-25-18-13-19-26-53)81(121)105-72(50(9)106)84(124)100-63(44-54-28-30-55(107)31-29-54)74(114)93-45-68(110)94-58(34-37-69(111)112)76(116)99-61(39-46(2)3)78(118)96-59(32-35-66(88)108)77(117)95-57(27-20-38-92-86(90)91)75(115)98-62(40-47(4)5)79(119)97-60(85(125)126)33-36-67(89)109/h11-19,21-26,28-31,46-50,56-65,70-72,106-107H,10,20,27,32-45,87H2,1-9H3,(H2,88,108)(H2,89,109)(H,93,114)(H,94,110)(H,95,117)(H,96,118)(H,97,119)(H,98,115)(H,99,116)(H,100,124)(H,101,122)(H,102,123)(H,103,113)(H,104,120)(H,105,121)(H,111,112)(H,125,126)(H4,90,91,92)/t49-,50+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,70-,71-,72-/m0/s1
InChIKey
YQKDYBMNXFOSLF-SDGXXZENSA-N
Chemical Structure
2D Structure
2D structure of H-Phe-Val-Phe-Ile-Phe-Thr-Tyr-Gly-Glu-Leu-Gln-Arg-Leu-Gln-OH
CAS: 153966-48-4
CID: 90489005
Formula: C86H125N19O21
MW: 1761.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1761.0
XLogP30
Hydrogen Bond Donor Count23
Hydrogen Bond Acceptor Count23
Rotatable Bond Count57
Exact Mass1759.92974207
Monoisotopic Mass1759.92974207
Topological Polar Surface Area667 Ų
Heavy Atom Count126
Formal Charge0
Complexity3600
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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