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Chemical structure of FC131 TFA

GC36033

FC131 TFA

Also known as 2-[3-[(2S,5S,8S,14R)-5-[3-(diaminomethylideneamino)propyl]-14-[(4-hydroxyphenyl)methyl]-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidine;2,2,2-trifluoroacetic acid

FC131 TFA is a CXCR4 antagonist, inhibits [125I]-SDF-1 binding to CXCR4, with an IC50 of 4·5 nM

ChemicalCAS842166-42-1MW843.85FormulaC38H48F3N11O8
CAS number
842166-42-1
Molecular weight
843.85
Formula
C38H48F3N11O8
Solubility
DMSO： 250 mg/mL (296·26 mM)
InChIKey
CJRFPYRTUCUEQI-UVHONZKJSA-N
Catalogue number
GC36033
Brand
GLPBIO
Computed properties PubChem CID 71457332 · TPSA 332 Ų · H-bond donors 11 · H-bond acceptors 13
TPSA
332 Ų
H-bond donors
11
H-bond acceptors
13
Rotatable bonds
12
Heavy atoms
60

SMILES C1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N)CC4=CC=C(C=C4)O.C(=O)(C(F)(F)F)O

Computed descriptors from PubChem (CID 71457332), 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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Pricing
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Documents
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