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Neuromedin U, rat

CAT: 0804-HY-P1238Size: 1 EachDry Ice: NoHazardous: No
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Description
Neuromedin U, rat is a 23-amino acid brain-gut peptide. Neuromedin U (NMU), through its cognate receptor NMUR2 in the central nervous system, regulates several important physiological functions, including energy balance, stress response, and nociception.
CAS Number
117505-80-3
Product Name Alternative
Neuromedin U (rat) ; Rat neuromedin U-23
UNSPSC
12352209
Target
Neuromedin U Receptor (NMUR)
Type
Peptides
Related Pathways
GPCR/G Protein
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/Neuromedin_U,_rat.html
Solubility
H2O
Smiles
C([C@@H](NC([C@H](CC1=CC=CC=C1)NC([C@@H](NC([C@H](CC2=CC=CC=C2)NC([C@H](CC3=CC=CC=C3)NC(CNC(CNC([C@@H](NC(=O)[C@H]4N(C([C@@H](NC([C@@H](NC(=O)[C@H]5N(C(CNC([C@@H](NC([C@H](CC6=CC=C(O)C=C6)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC7=CC=C(O)C=C7)N)=O)CCCCN)=O)C(C)C)=O)CC(N)=O)=O)CCC(O)=O)=O)=O)CCC(N)=O)=O)=O)CCC5)[C@@H](C)C)=O)C)=O)CCC4)CO)=O)=O)=O)=O)=O)CC(C)C)=O)=O)CCCNC(=N)N)(=O)N8[C@H](C(N[C@H](C(N[C@@H](CC(N)=O)C(N)=O)=O)CCCNC(=N)N)=O)CCC8
Molecular Formula
C124H180N34O31
Molecular Weight
2642.97
References & Citations
[1]Liu JJ, et al. Discovery and pharmacological characterization of a small-molecule antagonist at neuromedin U receptor NMUR2. J Pharmacol Exp Ther. 2009 Jul;330 (1) :268-75.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Neuromedin U (rat)
CAS Number117505-80-3
PubChem CID71311710
IUPAC Name(4S)-4-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-5-[[(2S)-1-[[(2S)-5-amino-1-[[2-[(2S)-2-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[(2S)-2-[[(2S)-5-carbamimidamido-1-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC124H180N34O31
Molecular Weight2643.0
XLogP-6.7
Topological Polar Surface Area1060
Hydrogen Bond Donor Count35
Hydrogen Bond Acceptor Count35
Rotatable Bond Count81
Heavy Atom Count189
Formal Charge0
Complexity6040
SMILES
C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]6CCCN6C(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC7=CC=C(C=C7)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC8=CC=C(C=C8)O)N
InChI
InChI=1S/C124H180N34O31/c1-66(2)54-84(110(177)150-86(57-71-26-13-9-14-27-71)113(180)146-82(32-20-50-136-124(133)134)122(189)158-53-23-35-93(158)116(183)145-79(31-19-49-135-123(131)132)107(174)147-83(103(130)170)60-95(128)163)148-114(181)87(58-72-28-15-10-16-29-72)151-111(178)85(56-70-24-11-8-12-25-70)141-98(166)63-137-97(165)62-138-106(173)90(65-159)153-117(184)92-34-22-52-157(92)121(188)69(7)140-119(186)101(67(3)4)155-118(185)91-33-21-51-156(91)99(167)64-139-105(172)80(44-46-94(127)162)143-112(179)88(59-74-38-42-76(161)43-39-74)149-108(175)81(45-47-100(168)169)144-115(182)89(61-96(129)164)152-120(187)102(68(5)6)154-109(176)78(30-17-18-48-125)142-104(171)77(126)55-73-36-40-75(160)41-37-73/h8-16,24-29,36-43,66-69,77-93,101-102,159-161H,17-23,30-35,44-65,125-126H2,1-7H3,(H2,127,162)(H2,128,163)(H2,129,164)(H2,130,170)(H,137,165)(H,138,173)(H,139,172)(H,140,186)(H,141,166)(H,142,171)(H,143,179)(H,144,182)(H,145,183)(H,146,180)(H,147,174)(H,148,181)(H,149,175)(H,150,177)(H,151,178)(H,152,187)(H,153,184)(H,154,176)(H,155,185)(H,168,169)(H4,131,132,135)(H4,133,134,136)/t69-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,101-,102-/m0/s1
InChIKey
YYDRKWCPVLDJJD-XOXVDEAXSA-N
Chemical Structure
2D Structure
2D structure of Neuromedin U (rat)
CAS: 117505-80-3
CID: 71311710
Formula: C124H180N34O31
MW: 2643.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2643.0
XLogP3-6.7
Hydrogen Bond Donor Count35
Hydrogen Bond Acceptor Count35
Rotatable Bond Count81
Exact Mass2642.3587299
Monoisotopic Mass2641.3553751
Topological Polar Surface Area1060 Ų
Heavy Atom Count189
Formal Charge0
Complexity6040
Isotope Atom Count0
Defined Atom Stereocenter Count20
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
CCP1333-01Neuromedin
N2171-81CNeuromedin U (Neuromedin-U, NmU)
N2171-79V1Neuromedin S (Neuromedin-S, NMS)
224561-01NMB (Neuromedin B, Neuromedin-B-32, Neuromedin-B) discontinued
N2171-79V2Neuromedin S (Neuromedin-S, NMS) (Biotin)
N2171-79U7Neuromedin S (Neuromedin-S, NMS) (Rhodamine)
N2171-79T3Neuromedin S (Neuromedin-S, NMS) (Carboxyfluorescein)
4020211.0025Neuromedin B
MBS405531-01Neuromedin U
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