FC131

Category	Human immunodeficiency Virus (HIV)
CAS	606968-52-9
Description	FC 131 is a CXCR4 antagonist with anti-HIV activity.

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Synonyms	FC 131; FC-131; FC131; d-Tyr-Arg-Arg-2-Nal-Gly; Cyclo[2-Nal-Gly-D-Tyr-Arg-Arg]
IUPAC Name	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
Molecular Weight	729.84
Molecular Formula	C36H47N11O6
Canonical SMILES	C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N)CC4=CC=C(C=C4)O
InChI	1S/C36H47N11O6/c37-35(38)41-15-3-7-26-32(51)45-27(8-4-16-42-36(39)40)33(52)47-28(19-22-9-12-23-5-1-2-6-24(23)17-22)31(50)43-20-30(49)44-29(34(53)46-26)18-21-10-13-25(48)14-11-21/h1-2,5-6,9-14,17,26-29,48H,3-4,7-8,15-16,18-20H2,(H,43,50)(H,44,49)(H,45,51)(
InChIKey	MBXBICVKLVYNKD-XFTNXAEASA-N
Purity	≥95%
Density	1.45±0.1 g/cm3(Predicted)
Solubility	Soluble to 2 mg/ml in 20% acetonitrile / water
Appearance	White lyophilised solid
Storage	Store at -20°C
Complexity	1310
Exact Mass	729.37107826
Index Of Refraction	1.696
PSA	289.53000
Target	CXCR; HIV
XLogP3-AA	0