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(Trp63, Trp64) -C3a (63-77)

CAT: 1410-M39867Size: 1 EachDry Ice: NoHazardous: No
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Description
(Trp63, Trp64) ​-​C3a (63-77) is a C3a synthetic analogue peptide, which exhibits Ca2+ stimulating efficacy in human neutrophils and hC3aR or mC3aR expressing RBL-2H3 cells with EC50 of 9.5, 2.0 and 0.8 nM, respectively.
CAS Number
130154-64-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
1820.19
Molecular Formula
C86H134N26O18
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

H-Trp-trp-gly-lys-lys-tyr-arg-ala-ser-lys-leu-gly-leu-ala-arg-OH
CAS Number130154-64-2
PubChem CID49799079
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoic acid
Molecular FormulaC86H134N26O18
Molecular Weight1820.1
XLogP-3.4
Topological Polar Surface Area745
Hydrogen Bond Donor Count29
Hydrogen Bond Acceptor Count24
Rotatable Bond Count62
Heavy Atom Count130
Formal Charge0
Complexity3670
SMILES
C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)N
InChI
InChI=1S/C86H134N26O18/c1-47(2)37-65(75(120)99-45-71(116)104-66(38-48(3)4)81(126)102-49(5)72(117)108-64(84(129)130)27-18-36-96-86(93)94)110-79(124)62(25-13-16-34-89)107-83(128)69(46-113)112-73(118)50(6)101-77(122)63(26-17-35-95-85(91)92)106-82(127)67(39-51-28-30-54(114)31-29-51)111-80(125)61(24-12-15-33-88)105-78(123)60(23-11-14-32-87)103-70(115)44-100-76(121)68(41-53-43-98-59-22-10-8-20-56(53)59)109-74(119)57(90)40-52-42-97-58-21-9-7-19-55(52)58/h7-10,19-22,28-31,42-43,47-50,57,60-69,97-98,113-114H,11-18,23-27,32-41,44-46,87-90H2,1-6H3,(H,99,120)(H,100,121)(H,101,122)(H,102,126)(H,103,115)(H,104,116)(H,105,123)(H,106,127)(H,107,128)(H,108,117)(H,109,119)(H,110,124)(H,111,125)(H,112,118)(H,129,130)(H4,91,92,95)(H4,93,94,96)/t49-,50-,57-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1
InChIKey
WZZZEVMVZFWLNO-QYEYXIDWSA-N
Chemical Structure
2D Structure
2D structure of H-Trp-trp-gly-lys-lys-tyr-arg-ala-ser-lys-leu-gly-leu-ala-arg-OH
CAS: 130154-64-2
CID: 49799079
Formula: C86H134N26O18
MW: 1820.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1820.1
XLogP3-3.4
Hydrogen Bond Donor Count29
Hydrogen Bond Acceptor Count24
Rotatable Bond Count62
Exact Mass1819.03694153
Monoisotopic Mass1819.03694153
Topological Polar Surface Area745 Ų
Heavy Atom Count130
Formal Charge0
Complexity3670
Isotope Atom Count0
Defined Atom Stereocenter Count13
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
TP2518-01(Trp63, Trp64) ​-​C3a (63-77)
H-1264.0001(Trp63,Trp64)-C3a (63-77)
FT108399-01(Trp63, Trp64) -C3a (63-77)
GTR19066514-01[Trp63, 64] - C3a (63 - 77)
CCP1730-01[Trp63, 64]-C3a (63-77)
E-PP-0313-01[Trp63,64]-C3a (63-77)
GTR18889600[Trp63, 64]-C3a (63-77) peptide
C0010-14DC3a [Trp63, Trp64] (63-77) [Trp-Trp-Gly-Lys-Lys-Tyr-Arg-Ala-Ser-Lys-Leu-Gly-Leu-Ala-Arg]
SP-67117-5[Trp63, 64] - C3a (63 - 77) [Trp-Trp-Gly-Lys-Lys-Tyr-Arg-Ala-Ser-Lys-Leu-Gly-Leu-Ala-Arg; MW 1820.19]
4016370.0001(Trp⁶³, Trp⁶⁴) -C3a (63-77)

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