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Polyphemusin II-Derived Peptide

CAT: 0804-HY-P4810Size: 1 EachDry Ice: NoHazardous: No
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Description
Polyphemusin II-Derived Peptide (T140), a CXCR4 inhibitor, shows high inhibitory activity against HIV-1 entry and the inhibitory effect on the binding of an anti-CXCR4 monoclonal antibody (12G5) to CXCR4[1].
CAS Number
229030-20-0
Product Name Alternative
T140
UNSPSC
12352209
Target
CXCR
Type
Peptides
Related Pathways
GPCR/G Protein; Immunology/Inflammation
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/polyphemusin-ii-derived-peptide.html
Solubility
10 mM in DMSO
Smiles
O=C([C@@H](CCCCN)NC([C@H](CCCCN)NC([C@@H](NC([C@H](CC1=CC=C(O)C=C1)NC([C@H](CSSC[C@@H](C(N[C@@H](CCCNC(N)=N)C(O)=O)=O)NC([C@H](CCCNC(N)=O)NC([C@H](CCCNC(N)=N)NC([C@H](CC2=CC=C(O)C=C2)NC3=O)=O)=O)=O)NC([C@H](CC4=CC=C(C=CC=C5)C5=C4)NC([C@H](CCCNC(N)=N)NC([C@@H](N)CCCNC(N)=N)=O)=O)=O)=O)=O)CCCNC(N)=N)=O)=O)N6[C@@]3([H])CCC6
Molecular Formula
C90H141N33O18S2
Molecular Weight
2037.42
References & Citations
[1]H Tamamura, et al. A low-molecular-weight inhibitor against the chemokine receptor CXCR4: a strong anti-HIV peptide T140. Biochem Biophys Res Commun. 1998 Dec 30;253 (3) :877-82.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

T140 peptide

a strong anti-hiv agent; amino acid sequence in first source

CAS Number229030-20-0
PubChem CID16130395
IUPAC Name(2S)-2-[[(3R,6S,9S,12S,15R,20R,23S,26S,29S,32S)-3,6-bis(4-aminobutyl)-15-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-9,26-bis(3-carbamimidamidopropyl)-23-[3-(carbamoylamino)propyl]-12,29-bis[(4-hydroxyphenyl)methyl]-2,5,8,11,14,22,25,28,31-nonaoxo-17,18-dithia-1,4,7,10,13,21,24,27,30-nonazabicyclo[30.3.0]pentatriacontane-20-carbonyl]amino]-5-carbamimidamidopentanoic acid
Molecular FormulaC90H141N33O18S2
Molecular Weight2037.4
XLogP-6.4
Topological Polar Surface Area941
Hydrogen Bond Donor Count35
Hydrogen Bond Acceptor Count28
Rotatable Bond Count52
Heavy Atom Count143
Formal Charge0
Complexity4180
SMILES
C1C[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2C1)CCCCN)CCCCN)CCCNC(=N)N)CC3=CC=C(C=C3)O)NC(=O)[C@H](CC4=CC5=CC=CC=C5C=C4)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CCCNC(=O)N)CCCNC(=N)N)CC6=CC=C(C=C6)O
InChI
InChI=1S/C90H141N33O18S2/c91-35-5-3-17-58-74(129)116-63(18-4-6-36-92)83(138)123-43-13-24-70(123)82(137)120-66(46-51-28-33-56(125)34-29-51)78(133)115-61(21-10-40-108-88(100)101)73(128)113-62(22-11-42-110-90(104)141)76(131)121-68(80(135)117-64(84(139)140)23-12-41-109-89(102)103)48-142-143-49-69(81(136)119-65(45-50-26-31-55(124)32-27-50)77(132)114-60(72(127)112-58)20-9-39-107-87(98)99)122-79(134)67(47-52-25-30-53-14-1-2-15-54(53)44-52)118-75(130)59(19-8-38-106-86(96)97)111-71(126)57(93)16-7-37-105-85(94)95/h1-2,14-15,25-34,44,57-70,124-125H,3-13,16-24,35-43,45-49,91-93H2,(H,111,126)(H,112,127)(H,113,128)(H,114,132)(H,115,133)(H,116,129)(H,117,135)(H,118,130)(H,119,136)(H,120,137)(H,121,131)(H,122,134)(H,139,140)(H4,94,95,105)(H4,96,97,106)(H4,98,99,107)(H4,100,101,108)(H4,102,103,109)(H3,104,110,141)/t57-,58-,59-,60-,61-,62-,63+,64-,65-,66-,67-,68-,69-,70-/m0/s1
InChIKey
IMOHHNXUCDZLKM-ADZSTZGASA-N
Chemical Structure
2D Structure
2D structure of T140 peptide
CAS: 229030-20-0
CID: 16130395
Formula: C90H141N33O18S2
MW: 2037.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2037.4
XLogP3-6.4
Hydrogen Bond Donor Count35
Hydrogen Bond Acceptor Count28
Rotatable Bond Count52
Exact Mass2036.0573771
Monoisotopic Mass2036.0573771
Topological Polar Surface Area941 Ų
Heavy Atom Count143
Formal Charge0
Complexity4180
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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