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Compstatin

CAT: 0804-HY-P1036-03Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P1036-03Size:5 mg
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Description
Compstatin, a 13-residue cyclic peptide, is a potent inhibitor of the complement system C3 with species specificity. Compstatin binds to baboon C3 and is resistant to proteolytic cleavage in baboon blood (similar to humans) . Compstatin inhibits only the activation of primates’ complement system. Compstatin exhibits IC50 values of 63 μM and 12 μM for classical and alterative complement pathway, respectively[1][2][3][4].
CAS Number
206645-99-0
UNSPSC
12352209
Hazard Statement
H302, H315, H319, H335
Target
Complement System
Type
Peptides
Related Pathways
Immunology/Inflammation
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/Compstatin.html
Purity
99.58
Solubility
H2O : 100 mg/mL (ultrasonic)
Smiles
O=C([C@@H](N)[C@H](CC)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(N[C@H](C(N[C@H]1CCCNC(N)=N)=O)CC2=CNC=N2)=O)CC3=CNC=N3)=O)=O)CC4=CNC5=CC=CC=C45)=O)CC(O)=O)=O)CCC(N)=O)=O)C(C)C)=O)C(C)C)=O)CSSC[C@H](NC1=O)C(N[C@H](C(N)=O)[C@@H](C)O)=O
Molecular Formula
C66H99N23O17S2
Molecular Weight
1550.77
Precautions
H302, H315, H319, H335
References & Citations
[1]Soulika AM, et al. Inhibition of heparin/protamine complex-induced complement activation by Compstatin in baboons. Clin Immunol. 2000 Sep;96 (3) :212-21.|[2]Fiane AE, et al. Compstatin, a peptide inhibitor of C3, prolongs survival of ex vivo perfused pig xenografts. Xenotransplantation. 1999 Feb;6 (1) :52-65.|[3]Bert J C Janssen, et al. Structure of compstatin in complex with complement component C3c reveals a new mechanism of complement inhibition. J Biol Chem. 2007 Oct 5;282 (40) :29241-7.|[4]A Sahu, et al. Inhibition of human complement by a C3-binding peptide isolated from a phage-displayed random peptide library. J Immunol. 1996 Jul 15;157 (2) :884-91.
Shipping Conditions
Blue Ice
Storage Conditions
-80°C, 2 years; -20°C, 1 year (Powder, sealed storage, away from moisture and light)
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Compstatin

binds to complement 3; amino acid sequence in first source

CAS Number206645-99-0
PubChem CID25082538
IUPAC Name2-[(4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-4-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-34-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-25-(3-amino-3-oxopropyl)-7-[3-(diaminomethylideneamino)propyl]-10,13-bis(1H-imidazol-5-ylmethyl)-19-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-28,31-di(propan-2-yl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacont-22-yl]acetic acid
Molecular FormulaC66H99N23O17S2
Molecular Weight1550.8
XLogP-6.7
Topological Polar Surface Area707
Hydrogen Bond Donor Count22
Hydrogen Bond Acceptor Count23
Rotatable Bond Count25
Heavy Atom Count108
Formal Charge0
Complexity3170
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)C(C)C)CCC(=O)N)CC(=O)O)CC2=CNC3=CC=CC=C32)CC4=CN=CN4)CC5=CN=CN5)CCCN=C(N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N)N
InChI
InChI=1S/C66H99N23O17S2/c1-8-32(6)50(68)63(104)86-46-27-108-107-26-45(62(103)89-53(33(7)90)54(69)95)85-56(97)39(14-11-17-74-66(70)71)80-59(100)43(20-36-24-73-29-78-36)83-58(99)42(19-35-23-72-28-77-35)79-48(92)25-76-55(96)41(18-34-22-75-38-13-10-9-12-37(34)38)82-60(101)44(21-49(93)94)84-57(98)40(15-16-47(67)91)81-64(105)51(30(2)3)88-65(106)52(31(4)5)87-61(46)102/h9-10,12-13,22-24,28-33,39-46,50-53,75,90H,8,11,14-21,25-27,68H2,1-7H3,(H2,67,91)(H2,69,95)(H,72,77)(H,73,78)(H,76,96)(H,79,92)(H,80,100)(H,81,105)(H,82,101)(H,83,99)(H,84,98)(H,85,97)(H,86,104)(H,87,102)(H,88,106)(H,89,103)(H,93,94)(H4,70,71,74)/t32-,33+,39-,40-,41-,42-,43-,44-,45-,46-,50-,51-,52-,53-/m0/s1
InChIKey
RDTRHBCZFDCUPW-KWICJJCGSA-N
Chemical Structure
2D Structure
2D structure of Compstatin
CAS: 206645-99-0
CID: 25082538
Formula: C66H99N23O17S2
MW: 1550.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1550.8
XLogP3-6.7
Hydrogen Bond Donor Count22
Hydrogen Bond Acceptor Count23
Rotatable Bond Count25
Exact Mass1549.70307113
Monoisotopic Mass1549.70307113
Topological Polar Surface Area707 Ų
Heavy Atom Count108
Formal Charge0
Complexity3170
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
H-6516.1000Compstatin

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