3-Bromo-4-(4-isopropoxyphenyl)-1-(triisopropylsilyl)-1H-pyrrole - CAS 1831110-70-3

Catalog:	BB070802
Product Name:	3-Bromo-4-(4-isopropoxyphenyl)-1-(triisopropylsilyl)-1H-pyrrole
CAS:	1831110-70-3
Synonyms:	3-Bromo-4-(4-isopropoxyphenyl)-1-(triisopropylsilyl)-1h-pyrrole; [3-bromo-4-(4-propan-2-yloxyphenyl)pyrrol-1-yl]-tri(propan-2-yl)silane

Technical Data

IUPAC Name:	[3-bromo-4-(4-propan-2-yloxyphenyl)pyrrol-1-yl]-tri(propan-2-yl)silane
Description:	3-Bromo-4-(4-isopropoxyphenyl)-1-(triisopropylsilyl)-1H-pyrrole is an intermediate for the synthesis of MS094 (M755450), which is a derivative of MS023 (M755443). MS023 is a potent inihbitor of PRMTs 1,3,4,6,and 8 (IC50 = 30, 119, 83, 8, and 8 nM, respectively), which are responsible for asymmetric dimethylation of arginine residues.
Molecular Weight:	436.5
Molecular Formula:	C22H34BrNOSi
Canonical SMILES:	CC(C)OC1=CC=C(C=C1)C2=CN(C=C2Br)[Si](C(C)C)(C(C)C)C(C)C
InChI:	InChI=1S/C22H34BrNOSi/c1-15(2)25-20-11-9-19(10-12-20)21-13-24(14-22(21)23)26(16(3)4,17(5)6)18(7)8/h9-18H,1-8H3
InChI Key:	NNYNABDEWFOVJW-UHFFFAOYSA-N
Solubility:	Chloroform
Appearance:	Colourless Thick Liquid
Storage:	4°C
References:	Eram, Mohammad S., et al. ACS Chemical Biology,11, 772-(2016); Ferreira de Freitas, Renato., et al. J. Med. Chem., 59, 6838 (2016).

Complexity:	410
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	435.1593
Formal Charge:	0
Heavy Atom Count:	26
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	435.1593
Rotatable Bond Count:	7
Topological Polar Surface Area:	14.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0