4-BROMO-A23187 structure, CAS 76455-48-6

4-BROMO-A23187

CAS Number76455-48-6

Synonyms6-bromo-5-methylamino-2-[[(2S,3R,5R,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid; 6-bromo-5-methylamino-2-[[(2S,3R,5R,8R,9R)-3,5,9-trimethyl-2-[(1S)-1-methyl-2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid; 6-bromo-2-[[(2S,3R,5R,8R,9R)-2-[(1S)-2-keto-1-methyl-2-(1H-pyrrol-2-yl)ethyl]-3,5,9-trimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-5-methylamino-1,3-benzoxazole-4-carboxylic acid; 4-Bromo-A-23187; 4-Benzoxazolecarboxylic acid, 6-bromo-5-(methylamino)-2-(((2S,3S,6S,8S,9R,11R)-3,9,11-trimethyl-8-((1S)-1-methyl-2-oxo-2-(1H-pyrrol-2-yl)ethyl)-1,7-dioxaspiro(5.5)undec-2-yl)methyl)-

Molecular FormulaC29H36BrN3O6

Molecular Weight602.52

Purity

Density1.43g/cm3

Boiling Point735.4ºC at 760 mmHg

Melting Point

Flash Point

Appearancepowder

EINECS

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Symbol

Signal Word

Cat. No.: 2A-1177744 Purity:
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Chemical & Physical Properties
CAS Number76455-48-6
Catalog No.2A-1177744
Chinese Name4-溴钙离子载体
Synonyms6-bromo-5-methylamino-2-[[(2S,3R,5R,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid; 6-bromo-5-methylamino-2-[[(2S,3R,5R,8R,9R)-3,5,9-trimethyl-2-[(1S)-1-methyl-2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid; 6-bromo-2-[[(2S,3R,5R,8R,9R)-2-[(1S)-2-keto-1-methyl-2-(1H-pyrrol-2-yl)ethyl]-3,5,9-trimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-5-methylamino-1,3-benzoxazole-4-carboxylic acid; 4-Bromo-A-23187; 4-Benzoxazolecarboxylic acid, 6-bromo-5-(methylamino)-2-(((2S,3S,6S,8S,9R,11R)-3,9,11-trimethyl-8-((1S)-1-methyl-2-oxo-2-(1H-pyrrol-2-yl)ethyl)-1,7-dioxaspiro(5.5)undec-2-yl)methyl)-
Molecular FormulaC29H36BrN3O6
Molecular Weight602.52
Density1.43g/cm3
Boiling Point735.4ºC at 760 mmHg
Appearancepowder
Storage Condition-20°C
Application4-Bromo A23187 is the halogenated analog of A-23187. A-2318 is a highly selective calcium ionophore. 4-Bromo A23187 is a calcium regulator that can induce apoptosis, such as HL-60 cells.
PubChem ID24891982
MDL NumberMFCD00077667
SMILESCNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@@H]([C@H](C)C[C@H]4C)[C@H](C)C(=O)c5ccc[nH]5)nc2c1C(O)=O
InChI1S/C29H36BrN3O6/c1-14-8-9-29(16(3)11-15(2)27(39-29)17(4)26(34)19-7-6-10-32-19)38-20(14)13-22-33-25-21(37-22)12-18(30)24(31-5)23(25)28(35)36/h6-7,10,12,14-17,20,27,31-32H,8-9,11,13H2,1-5H3,(H,35,36)/t14-,15-,16-,17-,20-,27+,29+/m1/s1
InChI KeyLDXQFZZGVTWFCF-FHYGWRBKSA-N
NACRES CodeNA.77
UNSPSC12352202
Transport InfoProduct name: 4-Bromo A23187
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