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α-Conotoxin RgIA

CAT: 0804-HY-P5845-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P5845-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
876728-23-3
UNSPSC Description
α-Conotoxin RgIA (α-RgIA) is a specific α9α10 nAChR antagonist. α-Conotoxin RgIA can be obtained from Conus regius venom. α-Conotoxin RgIA can be used in the study of neurological diseases[1].
Target Antigen
nAChR
Type
Peptides
Related Pathways
Membrane Transporter/Ion Channel;Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Purity
99.44
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(CN)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N1[C@H](C(N[C@H]2CCCNC(N)=N)=O)CCC1)=O)CC(O)=O)=O)CO)=O)CSSC[C@H](NC3=O)C(N[C@H](C(O)=O)CCCNC(N)=N)=O)=O)CSSC[C@H](NC2=O)C(N[C@H](C(N[C@H](C(N[C@H]3CCCNC(N)=N)=O)CC4=CC=C(O)C=C4)=O)CCCNC(N)=N)=O
Molecular Weight
1570.80
References & Citations
[1]Ellison M, et al. Alpha-RgIA: a novel conotoxin that specifically and potently blocks the alpha9alpha10 nAChR. Biochemistry. 2006 Feb 7;45(5):1511-7.
Shipping Conditions
Blue Ice
Storage Conditions
-80°C, 2 years; -20°C, 1 year (Powder, sealed storage, away from moisture)
Clinical Information
No Development Reported

Chemical Information

|A-Conotoxin Rg1A
CAS Number876728-23-3
PubChem CID56679246
IUPAC Name(2S)-2-[[(1R,4S,7S,13S,16S,19R,24R,27S,30S,33S,40R)-40-[(2-aminoacetyl)amino]-13-(carboxymethyl)-4,27,33-tris[3-(diaminomethylideneamino)propyl]-16-(hydroxymethyl)-30-[(4-hydroxyphenyl)methyl]-3,6,12,15,18,26,29,32,35,41-decaoxo-21,22,37,38-tetrathia-2,5,11,14,17,25,28,31,34,42-decazatricyclo[17.16.7.07,11]dotetracontane-24-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular FormulaC59H95N25O18S4
Molecular Weight1570.8
XLogP-11.6
Topological Polar Surface Area840
Hydrogen Bond Donor Count24
Hydrogen Bond Acceptor Count27
Rotatable Bond Count26
Heavy Atom Count106
Formal Charge0
Complexity3180
SMILES
C1C[C@H]2C(=O)N[C@H](C(=O)N[C@H]3CSSC[C@@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC3=O)CCCN=C(N)N)CC4=CC=C(C=C4)O)CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N2C1)CC(=O)O)CO)NC(=O)CN)CCCN=C(N)N
InChI
InChI=1S/C59H95N25O18S4/c60-22-42(87)73-37-24-103-104-25-38-50(96)75-30(6-1-15-69-56(61)62)44(90)78-34(20-28-11-13-29(86)14-12-28)47(93)74-31(7-2-16-70-57(63)64)45(91)82-39(51(97)77-33(55(101)102)9-4-18-72-59(67)68)26-105-106-27-40(83-49(37)95)52(98)80-36(23-85)48(94)79-35(21-43(88)89)54(100)84-19-5-10-41(84)53(99)76-32(46(92)81-38)8-3-17-71-58(65)66/h11-14,30-41,85-86H,1-10,15-27,60H2,(H,73,87)(H,74,93)(H,75,96)(H,76,99)(H,77,97)(H,78,90)(H,79,94)(H,80,98)(H,81,92)(H,82,91)(H,83,95)(H,88,89)(H,101,102)(H4,61,62,69)(H4,63,64,70)(H4,65,66,71)(H4,67,68,72)/t30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-/m0/s1
InChIKey
XLQOVPAFVSHLGV-VFWMWCIBSA-N
Chemical Structure
2D Structure
2D structure of |A-Conotoxin Rg1A
CAS: 876728-23-3
CID: 56679246
Formula: C59H95N25O18S4
MW: 1570.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1570.8
XLogP3-11.6
Hydrogen Bond Donor Count24
Hydrogen Bond Acceptor Count27
Rotatable Bond Count26
Exact Mass1569.6169760
Monoisotopic Mass1569.6169760
Topological Polar Surface Area840 Ų
Heavy Atom Count106
Formal Charge0
Complexity3180
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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