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Xenopus orexin B

CAT: 0804-HY-P10080Size: 1 EachDry Ice: NoHazardous: No
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Description
Xenopus orexin B is a neuropeptides that identified as an endogenous ligands for an orphan G-protein-coupled receptor. Xenopus orexin B is a potent agonist of OX2R[1].
CAS Number
254757-78-3
UNSPSC
12352209
Target
Orexin Receptor (OX Receptor)
Type
Peptides
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/xenopus-orexin-b.html
Solubility
10 mM in DMSO
Smiles
[C@H](CC1=CC=CC=C1)(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](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(NCC(N[C@H](C(N[C@@H](CC2=CN=CN2)C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CCSC)C(N)=O)=O)[C@@H](C)O)=O)CC(C)C)=O)[C@H](CC)C)=O)=O)C)=O)C)=O)=O)CC(N)=O)=O)=O)CO)=O)=O)CCC(N)=O)=O)CC(C)C)=O)CC(C)C)=O)CCCNC(=N)N)=O)CCC(N)=O)=O)CC(C)C)=O)CCCNC(=N)N)=O)CO)=O)CCC(N)=O)=O)CCSC)=O)[C@@H](C)O)=O)CCC(N)=O)=O)NC([C@@H](NC([C@@H](NC([C@H](CCCNC(=N)N)N)=O)CO)=O)CC(O)=O)=O
Molecular Formula
C130H219N45O40S2
Molecular Weight
3116.54
References & Citations
[1]M Shibahara, et al. Structure, tissue distribution, and pharmacological characterization of Xenopus orexins. Peptides. 1999;20 (10) :1169-76.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Xenopus orexin B
CAS Number254757-78-3
PubChem CID172407982
IUPAC Name(3S)-4-[[(2S)-1-[[(2S)-5-amino-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[2-[[(2S)-1-[[2-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid
Molecular FormulaC130H219N45O40S2
Molecular Weight3116.5
XLogP-16.3
Topological Polar Surface Area1470
Hydrogen Bond Donor Count50
Hydrogen Bond Acceptor Count47
Rotatable Bond Count111
Heavy Atom Count217
Formal Charge0
Complexity7080
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)N
InChI
InChI=1S/C130H219N45O40S2/c1-17-64(10)100(125(213)170-83(47-63(8)9)122(210)175-101(67(13)179)126(214)156-72(103(137)191)37-42-216-15)173-98(188)55-148-104(192)65(11)152-105(193)66(12)153-115(203)85(49-70-52-144-59-151-70)168-120(208)86(50-95(136)185)154-96(186)53-150-108(196)88(56-176)155-97(187)54-149-107(195)75(29-33-91(132)181)159-116(204)81(45-61(4)5)166-118(206)82(46-62(6)7)165-109(197)73(27-22-40-146-129(140)141)157-111(199)76(30-34-92(133)182)161-117(205)80(44-60(2)3)164-110(198)74(28-23-41-147-130(142)143)158-123(211)90(58-178)172-112(200)77(31-35-93(134)183)160-113(201)79(38-43-217-16)163-127(215)102(68(14)180)174-114(202)78(32-36-94(135)184)162-119(207)84(48-69-24-19-18-20-25-69)167-121(209)87(51-99(189)190)169-124(212)89(57-177)171-106(194)71(131)26-21-39-145-128(138)139/h18-20,24-25,52,59-68,71-90,100-102,176-180H,17,21-23,26-51,53-58,131H2,1-16H3,(H2,132,181)(H2,133,182)(H2,134,183)(H2,135,184)(H2,136,185)(H2,137,191)(H,144,151)(H,148,192)(H,149,195)(H,150,196)(H,152,193)(H,153,203)(H,154,186)(H,155,187)(H,156,214)(H,157,199)(H,158,211)(H,159,204)(H,160,201)(H,161,205)(H,162,207)(H,163,215)(H,164,198)(H,165,197)(H,166,206)(H,167,209)(H,168,208)(H,169,212)(H,170,213)(H,171,194)(H,172,200)(H,173,188)(H,174,202)(H,175,210)(H,189,190)(H4,138,139,145)(H4,140,141,146)(H4,142,143,147)/t64-,65-,66-,67+,68+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,100-,101-,102-/m0/s1
InChIKey
YQXROSLBDWFUDN-QPDXLJFRSA-N
Chemical Structure
2D Structure
2D structure of Xenopus orexin B
CAS: 254757-78-3
CID: 172407982
Formula: C130H219N45O40S2
MW: 3116.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight3116.5
XLogP3-16.3
Hydrogen Bond Donor Count50
Hydrogen Bond Acceptor Count47
Rotatable Bond Count111
Exact Mass3115.5960941
Monoisotopic Mass3114.5927393
Topological Polar Surface Area1470 Ų
Heavy Atom Count217
Formal Charge0
Complexity7080
Isotope Atom Count0
Defined Atom Stereocenter Count28
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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