Name: BET-BAY 002
Rating: 5 (10 reviews)

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HIT ID:HIT212671031
Cas No:1588521-78-1
常用名:BET-BAY 002
别名:BET-BAY-002
IUPAC:(7R)-9-(4-chlorophenyl)-3-methyl-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,4,5-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),3,5,8,10,12-hexaene
IUPAC:(7R)-9-(4-chlorophenyl)-3-methyl-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,4,5-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),3,5,8,10,12-hexaene
InChI key:AGYIAWHWIUZNSD-INIZCTEOSA-N

分子式:C22H18ClN5O
分子量:403.87
氢键供体数 (HBD):0
氢键受体数 (HBA):4
LogP:2.621815
SMILES:Cc1nnc(C[C@@H]2C=C(c3ccc(Cl)cc3)c3ccccc3-n3c(C)nnc23)o1 |t:7|
SMILES:Cc1nnc(C[C@@H]2C=C(c3ccc(Cl)cc3)c3ccccc3-n3c(C)nnc23)o1 |t:7|

BET-BAY 002 is an effective BET bromodomain inhibitor demonstrating efficacy in vivo and in vitro against multiple myeloma and leukaemia models.

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