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Chemical structure of EPI-X4

GC76472

EPI-X4

Also known as (2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoic acid

EPI-X4 (hSA408-423 peptide) is an antagonist for C-X-C motif chemokine receptor 4 (CXCR4) with IC50 of 8·6 μM

ChemicalCAS930280-31-2MW1830.18FormulaC84H144N22O23
CAS number
930280-31-2
Molecular weight
1830.18
Formula
C84H144N22O23
Solubility
DMSO： 100 mg/mL (54·64 mM; Need ultrasonic)
InChIKey
IWBGWMGGKZBJJF-QQHYOGHPSA-N
Catalogue number
GC76472
Brand
GLPBIO
Computed properties PubChem CID 49771586 · XLogP -5.2 · TPSA 743 Ų · H-bond donors 25
XLogP
-5.2
TPSA
743 Ų
H-bond donors
25
H-bond acceptors
27
Rotatable bonds
57
Heavy atoms
129

SMILES C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N)O

Computed descriptors from PubChem (CID 49771586), 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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Documents
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