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FCE-27164

CAT: 0931-T70463-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T70463-01Size:1 mg
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CAS Number
154755-58-5
Target
Interleukin
Related Pathways
Immunology/Inflammation
Purity
0.9604
Bioactivity
FCE-27164 is a therapeutic agent that inhibits the binding of platelet-derived growth factor beta and interleukin-7 (IL-7) to their respective receptors, potentially modulating inflammatory and immune responses.
Smiles
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].Cn1cc(NC(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(c5cc(cc(c5c4)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)n(C)c3)n(C)c2)cc1C(=O)Nc1cc(C(=O)Nc2cc(c3cc(cc(c3c2)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)n(C)c1
Molecular Formula
C45H34N10Na6O23S6
Molecular Weight
1413.11
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Fce 27164

inhibits platelet-derived growth factor beta and IL-7 binding to their receptors; structure in first source

CAS Number154755-58-5
PubChem CID160402
IUPAC Namehexasodium;7-[[1-methyl-4-[[1-methyl-4-[[1-methyl-5-[[1-methyl-5-[(4,6,8-trisulfonatonaphthalen-2-yl)carbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamoylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]naphthalene-1,3,5-trisulfonate
Molecular FormulaC45H34N10Na6O23S6
Molecular Weight1413.1
Topological Polar Surface Area571
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count23
Rotatable Bond Count10
Heavy Atom Count90
Formal Charge0
Complexity2950
SMILES
CN1C=C(C=C1C(=O)NC2=CC3=C(C=C(C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])C(=C2)S(=O)(=O)[O-])NC(=O)C4=CC(=CN4C)NC(=O)NC5=CN(C(=C5)C(=O)NC6=CN(C(=C6)C(=O)NC7=CC8=C(C=C(C=C8S(=O)(=O)[O-])S(=O)(=O)[O-])C(=C7)S(=O)(=O)[O-])C)C.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C45H40N10O23S6.6Na/c1-52-17-23(7-33(52)41(56)46-21-5-29-31(37(11-21)81(67,68)69)13-27(79(61,62)63)15-39(29)83(73,74)75)48-43(58)35-9-25(19-54(35)3)50-45(60)51-26-10-36(55(4)20-26)44(59)49-24-8-34(53(2)18-24)42(57)47-22-6-30-32(38(12-22)82(70,71)72)14-28(80(64,65)66)16-40(30)84(76,77)78;;;;;;/h5-20H,1-4H3,(H,46,56)(H,47,57)(H,48,58)(H,49,59)(H2,50,51,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78);;;;;;/q;6*+1/p-6
InChIKey
NZHCYYWAUSIDGC-UHFFFAOYSA-H
Chemical Structure
2D Structure
2D structure of Fce 27164
CAS: 154755-58-5
CID: 160402
Formula: C45H34N10Na6O23S6
MW: 1413.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1413.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count23
Rotatable Bond Count10
Exact Mass1411.9508701
Monoisotopic Mass1411.9508701
Topological Polar Surface Area571 Ų
Heavy Atom Count90
Formal Charge0
Complexity2950
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count7
Compound Is CanonicalizedYes