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[Arg14, Lys15]Nociceptin

CAT: 0931-TP1986Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TP1986Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
236098-40-1
Target
Opioid Receptor
Related Pathways
GPCR/G Protein, Endocrinology/Hormones, Neuroscience
Bioactivity
Highly potent and selective NOP receptor agonist (EC50 = 1 nM) . Displays > 875-fold selectivity over opioid receptors (IC50 values are 0.32, 280, > 10000 and 1500 for NOP, μ, δ and κ receptors respectively) . Longer lasting and 30-fold more potent than nociceptin in vivo; pronociceptive and inhibits locomotor activity.
Smiles
[C@H](CC1=CC=CC=C1)(C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CCC(N)=O)C(O)=O)=O)CC(N)=O)=O)CCCCN)=O)CCCNC(=N)N)=O)CCCCN)=O)CCCNC(=N)N)=O)C)=O)CO)=O)CCCCN)=O)CCCNC(=N)N)=O)C)=O)=O)[C@@H](C)O)=O)NC(CNC(CNC([C@H](CC2=CC=CC=C2)N)=O)=O)=O
Molecular Formula
C82H137N31O22
Molecular Weight
1909.18
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

[Arg14,Lys15]Nociceptin
CAS Number236098-40-1
PubChem CID16143911
IUPAC Name(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid
Molecular FormulaC82H137N31O22
Molecular Weight1909.2
XLogP-12.6
Topological Polar Surface Area919
Hydrogen Bond Donor Count34
Hydrogen Bond Acceptor Count29
Rotatable Bond Count71
Heavy Atom Count135
Formal Charge0
Complexity3920
SMILES
C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=CC=C2)N)O
InChI
InChI=1S/C82H137N31O22/c1-44(101-63(119)42-100-78(133)65(46(3)115)113-76(131)57(38-48-21-8-5-9-22-48)103-64(120)41-98-62(118)40-99-68(123)49(86)37-47-19-6-4-7-20-47)66(121)104-53(26-16-34-95-80(89)90)70(125)108-52(25-12-15-33-85)74(129)112-59(43-114)77(132)102-45(2)67(122)105-54(27-17-35-96-81(91)92)71(126)106-50(23-10-13-31-83)69(124)109-55(28-18-36-97-82(93)94)72(127)107-51(24-11-14-32-84)73(128)111-58(39-61(88)117)75(130)110-56(79(134)135)29-30-60(87)116/h4-9,19-22,44-46,49-59,65,114-115H,10-18,23-43,83-86H2,1-3H3,(H2,87,116)(H2,88,117)(H,98,118)(H,99,123)(H,100,133)(H,101,119)(H,102,132)(H,103,120)(H,104,121)(H,105,122)(H,106,126)(H,107,127)(H,108,125)(H,109,124)(H,110,130)(H,111,128)(H,112,129)(H,113,131)(H,134,135)(H4,89,90,95)(H4,91,92,96)(H4,93,94,97)/t44-,45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1
InChIKey
VULLMZOQBGUKAT-VUXBHJHDSA-N
Chemical Structure
2D Structure
2D structure of [Arg14,Lys15]Nociceptin
CAS: 236098-40-1
CID: 16143911
Formula: C82H137N31O22
MW: 1909.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1909.2
XLogP3-12.6
Hydrogen Bond Donor Count34
Hydrogen Bond Acceptor Count29
Rotatable Bond Count71
Exact Mass1908.0554451
Monoisotopic Mass1908.0554451
Topological Polar Surface Area919 Ų
Heavy Atom Count135
Formal Charge0
Complexity3920
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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Alternative Products

CatalogName
HY-P1301[Arg14, Lys15]Nociceptin
MBS5763984[Arg14,Lys15]Nociceptin
MBS5817801[Arg14,Lys15]Nociceptin TFA
HY-P1301A[Arg14, Lys15]Nociceptin (TFA)
GTR19036990-01[Arg14, Lys15]Nociceptin TFA
021-96[Arg14, Lys15]-Orphanin FQ / [Arg14, Lys15]-Nociceptin (Human, Rat, Mouse, Ox)
RM-M203009-01[Arg14-OH]Motixafortide
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