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PBP 10

CAT: 1410-M30580Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M30580Size:1 Each
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Description
Selective formyl peptide receptor 2 (FPR2) antagonist; cell permeable. Selectively inhibits FPR2-mediated NADPH oxidase activity but has no effect on FPR1 signaling in neutrophils. Displays PIP2 binding activity in vitro and blocks cell motility. Also exhibits antiviral activity against influenza viruses via inhibition of viral-induced ERK activation.
CAS Number
794466-43-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
1712.1
Molecular Formula
C84H126N24O15
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

[N-[(4S)-4-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutyl]carbamimidoyl]azanide
CAS Number794466-43-6
PubChem CID90488957
IUPAC Name[N-[(4S)-4-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutyl]carbamimidoyl]azanide
Molecular FormulaC84H126N24O15
Molecular Weight1712.1
XLogP-2
Topological Polar Surface Area617
Hydrogen Bond Donor Count23
Hydrogen Bond Acceptor Count21
Rotatable Bond Count57
Heavy Atom Count123
Formal Charge0
Complexity3690
SMILES
CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)[NH-])C(=O)O
InChI
InChI=1S/C84H126N24O15/c1-9-107(10-2)51-31-33-55-65(45-51)123-66-46-52(108(11-3)12-4)32-34-56(66)70(55)53-25-16-17-26-54(53)72(112)99-60(35-37-67(86)109)76(116)100-59(29-21-41-95-83(90)91)75(115)104-63(43-48(5)6)78(118)105-64(44-50-23-14-13-15-24-50)79(119)101-61(36-38-68(87)110)77(117)106-71(49(7)8)80(120)102-57(27-18-19-39-85)73(113)97-47-69(111)98-58(28-20-40-94-82(88)89)74(114)103-62(81(121)122)30-22-42-96-84(92)93/h13-17,23-26,31-34,45-46,48-49,57-64,71H,9-12,18-22,27-30,35-44,47,85H2,1-8H3,(H26-,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,109,110,111,112,113,114,115,116,117,118,119,120,121,122)/t57-,58-,59-,60-,61-,62-,63-,64-,71-/m0/s1
InChIKey
OIOWMSSANHIUTR-NVWDZAHRSA-N
Chemical Structure
2D Structure
2D structure of [N-[(4S)-4-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutyl]carbamimidoyl]azanide
CAS: 794466-43-6
CID: 90488957
Formula: C84H126N24O15
MW: 1712.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1712.1
XLogP3-2
Hydrogen Bond Donor Count23
Hydrogen Bond Acceptor Count21
Rotatable Bond Count57
Exact Mass1710.98344941
Monoisotopic Mass1710.98344941
Topological Polar Surface Area617 Ų
Heavy Atom Count123
Formal Charge0
Complexity3690
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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