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[Leu13]-Motilin

CAT: 0804-HY-106323Size: 1 EachDry Ice: NoHazardous: No
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Description
[Leu13]-Motilin (KW-5139) is a motilin analogue. [Leu13]-Motilin stimulates gastrointestinal motility in the rabbit. [Leu13]-Motilin causes concentration-dependent contractions of the gastric antrum, duodenum, jejunum, ileum and the descending colon in vitro[1].
CAS Number
59530-69-7
Product Name Alternative
KW-5139
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/leu13-motilin.html
Solubility
10 mM in DMSO
Smiles
N[C@@H](CC1=CC=CC=C1)C(N[C@@H](C(C)C)C(N2[C@@H](CCC2)C(N[C@]([C@@H](C)CC)([H])C(N[C@H](C(N[C@]([C@H](O)C)([H])C(N[C@H](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(N[C@@H](CCC(O)=O)C(N[C@@H](CCCCN)C(N[C@@H](CCC(O)=O)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC(N)=O)C(N[C@@H](CCCCN)C(NCC(N[C@H](C(O)=O)CCC(N)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)CC3=CC=C(O)C=C3)=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O
Molecular Formula
C121H190N34O35
Molecular Weight
2681.01
References & Citations
[1]Kitazawa T, et al. Stimulating action of KW-5139 (Leu13-motilin) on gastrointestinal motility in the rabbit. Br J Pharmacol. 1994 Jan;111 (1) :288-94.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
Phase 2

Chemical Information

13-Leu-motilin
CAS Number59530-69-7
PubChem CID16130985
IUPAC Name(2R)-5-amino-2-[[2-[[(2S)-6-amino-2-[[(2R)-4-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(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)-1-[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]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-oxopentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]acetyl]amino]-5-oxopentanoic acid
Molecular FormulaC121H190N34O35
Molecular Weight2681.0
XLogP-13.3
Topological Polar Surface Area1170
Hydrogen Bond Donor Count39
Hydrogen Bond Acceptor Count40
Rotatable Bond Count94
Heavy Atom Count190
Formal Charge0
Complexity6010
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)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@H](CCC(=O)N)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)C)NC(=O)[C@H](CC4=CC=CC=C4)N
InChI
InChI=1S/C121H190N34O35/c1-10-65(8)98(153-115(185)87-32-23-53-155(87)118(188)97(64(6)7)152-100(170)71(124)56-67-24-13-11-14-25-67)116(186)151-85(57-68-26-15-12-16-27-68)114(184)154-99(66(9)156)117(187)150-84(58-69-33-35-70(157)36-34-69)102(172)136-60-92(162)137-76(40-46-94(164)165)106(176)148-83(55-63(4)5)112(182)145-77(37-43-88(125)158)107(177)141-74(30-21-51-133-120(129)130)104(174)147-82(54-62(2)3)111(181)146-78(38-44-89(126)159)108(178)144-80(42-48-96(168)169)109(179)140-73(29-18-20-50-123)103(173)143-79(41-47-95(166)167)110(180)142-75(31-22-52-134-121(131)132)105(175)149-86(59-91(128)161)113(183)139-72(28-17-19-49-122)101(171)135-61-93(163)138-81(119(189)190)39-45-90(127)160/h11-16,24-27,33-36,62-66,71-87,97-99,156-157H,10,17-23,28-32,37-61,122-124H2,1-9H3,(H2,125,158)(H2,126,159)(H2,127,160)(H2,128,161)(H,135,171)(H,136,172)(H,137,162)(H,138,163)(H,139,183)(H,140,179)(H,141,177)(H,142,180)(H,143,173)(H,144,178)(H,145,182)(H,146,181)(H,147,174)(H,148,176)(H,149,175)(H,150,187)(H,151,186)(H,152,170)(H,153,185)(H,154,184)(H,164,165)(H,166,167)(H,168,169)(H,189,190)(H4,129,130,133)(H4,131,132,134)/t65-,66+,71-,72-,73-,74-,75+,76-,77-,78-,79-,80-,81+,82-,83-,84-,85-,86+,87-,97-,98-,99-/m0/s1
InChIKey
GFOZQXMKARUPQI-DFIBRNPJSA-N
Chemical Structure
2D Structure
2D structure of 13-Leu-motilin
CAS: 59530-69-7
CID: 16130985
Formula: C121H190N34O35
MW: 2681.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2681.0
XLogP3-13.3
Hydrogen Bond Donor Count39
Hydrogen Bond Acceptor Count40
Rotatable Bond Count94
Exact Mass2680.4166387
Monoisotopic Mass2679.4132839
Topological Polar Surface Area1170 Ų
Heavy Atom Count190
Formal Charge0
Complexity6010
Isotope Atom Count0
Defined Atom Stereocenter Count22
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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