BMS-345541

BMS-345541
Identifiers
	IUPAC name 4-(2′-Aminoethyl)amino-1,8-dimethylimidazo[1,2-a]quinoxaline;
CAS Number	445430-58-0 ;
PubChem CID	9813758;
IUPHAR/BPS	5669;
ChemSpider	7989508 ;
UNII	26SU0NEF5F;
ChEMBL	ChEMBL249697 ;
CompTox Dashboard ( EPA)	DTXSID60196216 ;
Chemical and physical data
Formula	C14H17N5
Molar mass	255.325 g·mol−1
3D model ( JSmol)	Interactive image;
	SMILES n1c3c(n2c(cnc2c1NCCN)C)cc(cc3)C;
	InChI InChI=1S/C14H17N5/c1-9-3-4-11-12(7-9)19-10(2)8-17-14(19)13(18-11)16-6-5-15/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18) ; Key:PSPFQEBFYXJZEV-UHFFFAOYSA-N ;
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BMS-345541, developed by Merck KGaA, is an anti-inflammatory, cell-permeable quinoxaline compound. It is an allosteric site-binding inhibitor with a primary target of IKK-2 and blocks the NF-κB-dependent transcription in mice.^[1]

It has no approvals for human/medical use or for use in clinical trials. No clinical trials mention it.^[2]

References

Identifiers

IUPAC name 4-(2′-Aminoethyl)amino-1,8-dimethylimidazo[1,2-a]quinoxaline
CAS Number	445430-58-0^N
PubChem CID	9813758
IUPHAR/BPS	5669
ChemSpider	7989508^N
UNII	26SU0NEF5F
ChEMBL	ChEMBL249697^N
CompTox Dashboard ( EPA)	DTXSID60196216
Chemical and physical data
Formula	C₁₄H₁₇N₅
Molar mass	255.325 g·mol⁻¹
3D model ( JSmol)	Interactive image
SMILES n1c3c(n2c(cnc2c1NCCN)C)cc(cc3)C
InChI InChI=1S/C14H17N5/c1-9-3-4-11-12(7-9)19-10(2)8-17-14(19)13(18-11)16-6-5-15/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18)^N Key:PSPFQEBFYXJZEV-UHFFFAOYSA-N^N
^NY (what is this?) (verify)