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CD31

CAT: 0804-HY-P3444-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P3444-02Size:5 mg
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Description
CD31 (PECAM-1) is platelet endothelial cell adhesion molecule-1, serves as the endothelial cell-specific receptor of clostridium perfringens b-Toxin (CPB) . CD31 is also an ER-MP12 antigen, acts as a linker between mechanical stress, metabolism and inflammation. CD31 peptide is able to sustain phosphorylation of the CD31 ITIM686 and of SHP2 and to inhibit TCR-induced T-cell activation[1]-[5].
CAS Number
161374-99-8
Product Name Alternative
PECAM-1
UNSPSC
12352209
Target
Bacterial; SHP2
Type
Peptides
Related Pathways
Anti-infection; Protein Tyrosine Kinase/RTK
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/cd31.html
Purity
99.33
Solubility
10 mM in DMSO
Smiles
O=C([C@H]1N(CCC1)C([C@H](C)NC([C@H](CC(C)C)NC([C@H]([C@@H](C)CC)NC([C@H](C(C)C)NC([C@H](CCCNC(N)=N)NC([C@H](C(C)C)NC([C@H]([C@H](O)C)NC([C@H](CC(C)C)NC([C@H]([C@@H](C)CC)NC([C@H](CCCCN)NC([C@H](CO)NC([C@H](CCCNC(N)=N)NC([C@H]2N(CCC2)C([C@H](C(C)C)NC([C@H](CO)NC([C@H](CO)NC([C@H](C)NC([C@@H](NC([C@@H](N)CC(N)=O)=O)CC3=CN=CN3)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)N[C@H](C(N[C@@H](CCCCN)C(N[C@H](C(O)=O)CCCCN)=O)=O)CC4=CNC5=CC=CC=C45
Molecular Formula
C119H202N36O29
Molecular Weight
2601.10
References & Citations
[1]Caligiuri G. Mechanotransduction, immunoregulation, and metabolic functions of CD31 in cardiovascular pathophysiology. Cardiovasc Res. 2019 Jul 1. 115 (9) :1425-1434.|[2]Ling V, et al. Structural identification of the hematopoietic progenitor antigen ER-MP12 as the vascular endothelial adhesion molecule PECAM-1 (CD31) . Eur J Immunol. 1997 Feb. 27 (2) :509-14.|[3]Bruggisser J, et al. CD31 (PECAM-1) Serves as the Endothelial Cell-Specific Receptor of Clostridium perfringens β-Toxin. Cell Host Microbe. 2020 Jul 8. 28 (1) :69-78.e6.|[4]Caligiuri G. CD31 as a Therapeutic Target in Atherosclerosis. Circ Res. 2020 Apr 24. 126 (9) :1178-1189. |[5]Fornasa G, et al. TCR stimulation drives cleavage and shedding of the ITIM receptor CD31. J Immunol. 2010 May 15. 184 (10) :5485-92.
Shipping Conditions
Blue Ice
Storage Conditions
-80°C, 2 years; -20°C, 1 year (Powder, sealed storage, away from moisture)
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

H-Asn-His-Ala-Ser-Ser-Val-Pro-Arg-Ser-Lys-Ile-Leu-Thr-Val-Arg-Val-Ile-Leu-Ala-Pro-Trp-Lys-Lys-OH
CAS Number161374-99-8
PubChem CID172652849
IUPAC Name(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoic acid
Molecular FormulaC119H202N36O29
Molecular Weight2601.1
XLogP-5.9
Topological Polar Surface Area1060
Hydrogen Bond Donor Count38
Hydrogen Bond Acceptor Count36
Rotatable Bond Count86
Heavy Atom Count184
Formal Charge0
Complexity5700
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](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@H](CC(=O)N)N
InChI
InChI=1S/C119H202N36O29/c1-18-64(13)92(151-100(166)75(35-23-26-42-121)137-105(171)84(56-157)146-98(164)76(37-28-44-130-118(125)126)138-108(174)87-40-31-47-155(87)116(182)91(63(11)12)150-107(173)85(57-158)147-106(172)83(55-156)145-95(161)66(15)134-102(168)82(51-70-54-129-58-133-70)141-96(162)72(123)52-88(124)160)112(178)144-80(49-60(5)6)104(170)153-94(68(17)159)114(180)149-89(61(7)8)110(176)139-77(38-29-45-131-119(127)128)99(165)148-90(62(9)10)111(177)152-93(65(14)19-2)113(179)143-79(48-59(3)4)101(167)135-67(16)115(181)154-46-30-39-86(154)109(175)142-81(50-69-53-132-73-33-21-20-32-71(69)73)103(169)136-74(34-22-25-41-120)97(163)140-78(117(183)184)36-24-27-43-122/h20-21,32-33,53-54,58-68,72,74-87,89-94,132,156-159H,18-19,22-31,34-52,55-57,120-123H2,1-17H3,(H2,124,160)(H,129,133)(H,134,168)(H,135,167)(H,136,169)(H,137,171)(H,138,174)(H,139,176)(H,140,163)(H,141,162)(H,142,175)(H,143,179)(H,144,178)(H,145,161)(H,146,164)(H,147,172)(H,148,165)(H,149,180)(H,150,173)(H,151,166)(H,152,177)(H,153,170)(H,183,184)(H4,125,126,130)(H4,127,128,131)/t64-,65-,66-,67-,68+,72-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,89-,90-,91-,92-,93-,94-/m0/s1
InChIKey
GNNXIAUZIFCCRK-SUJRSZHUSA-N
Chemical Structure
2D Structure
2D structure of H-Asn-His-Ala-Ser-Ser-Val-Pro-Arg-Ser-Lys-Ile-Leu-Thr-Val-Arg-Val-Ile-Leu-Ala-Pro-Trp-Lys-Lys-OH
CAS: 161374-99-8
CID: 172652849
Formula: C119H202N36O29
MW: 2601.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight2601.1
XLogP3-5.9
Hydrogen Bond Donor Count38
Hydrogen Bond Acceptor Count36
Rotatable Bond Count86
Exact Mass2600.5471994
Monoisotopic Mass2599.5438446
Topological Polar Surface Area1060 Ų
Heavy Atom Count184
Formal Charge0
Complexity5700
Isotope Atom Count0
Defined Atom Stereocenter Count26
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes