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Chemical structure of (Tyr⁵,¹²,Lys⁷)-Polyphemusin II

GA20334

(Tyr⁵,¹²,Lys⁷)-Polyphemusin II

Also known as (1R,4S,7S,10S,13R,18R,21S,24S,27S,30R,33S,39S,42S)-4,21,39-tris(4-aminobutyl)-N-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]-13-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-7,24-bis(3-carbamimidamidopropyl)-10,27,33,42-tetrakis[(4-hydroxyphenyl)methyl]-3,6,9,12,20,23,26,29,32,35,38,41,44-tridecaoxo-15,16,46,47-tetrathia-2,5,8,11,19,22,25,28,31,34,37,40,43-tridecazabicyclo[28.14.4]octatetracontane-18-carboxamide

T22 showed strong anti-human immunodeficiency virus activity in HIV-infected MT-4 cells (IC?? = 2·6 nM) similar to that of AZT (3'-azido-2',3'-dideoxythymidine) (IC?? = 5·2 nM)

ChemicalCAS147658-54-6MW2487.01FormulaC109H164N38O22S4
CAS number
147658-54-6
Molecular weight
2487.01
Formula
C109H164N38O22S4
Solubility
Soluble in DMSO
InChIKey
MJULKHZUJYASFR-FQPMSUGVSA-N
Catalogue number
GA20334
Brand
GLPBIO
Computed properties PubChem CID 16197316 · XLogP -4.8 · TPSA 1150 Ų · H-bond donors 42
XLogP
-4.8
TPSA
1150 Ų
H-bond donors
42
H-bond acceptors
35
Rotatable bonds
56
Heavy atoms
173

SMILES C1[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CSS1)C(=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)N2)CCCCN)CCCNC(=N)N)CC3=CC=C(C=C3)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)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)N)CCCCN)CCCNC(=N)N)CC6=CC=C(C=C6)O)CC7=CC=C(C=C7)O)CCCCN)CC8=CC=C(C=C8)O

Computed descriptors from PubChem (CID 16197316), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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