Name: 4-Bromo A23187
Rating: 5 (10 reviews)

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HIT ID:HIT212971765
Cas No:76455-48-6
常用名:4-Bromo A23187
别名:4-Bromo A23187
IUPAC:6-bromo-5-(methylamino)-2-{[(2R,3R,6S,8S,9R,11R)-3,9,11-trimethyl-8-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-2-yl]methyl}-1,3-benzoxazole-4-carboxylic acid
IUPAC:6-bromo-5-(methylamino)-2-{[(2R,3R,6S,8S,9R,11R)-3,9,11-trimethyl-8-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-2-yl]methyl}-1,3-benzoxazole-4-carboxylic acid
InChI key:LDXQFZZGVTWFCF-FHYGWRBKSA-N

分子式:C29H36BrN3O6
分子量:602.526
氢键供体数 (HBD):3
氢键受体数 (HBA):7
LogP:6.152384
SMILES:CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1C(O)=O
SMILES:CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1C(O)=O

4-Bromo A23187 is a halogenated analog of the calcium ionophore A-23187. 4-Bromo A23187 is a calcium modulator and induces apoptosis in different cells.

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