tert-Butyl 3-Bromo-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate - CAS 1936429-06-9

Catalog:	BB071066
Product Name:	tert-Butyl 3-Bromo-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate
CAS:	1936429-06-9
Synonyms:	1,1-Dimethylethyl 3-Bromo-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate

Technical Data

IUPAC Name:	tert-butyl 3-bromo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
Description:	tert-Butyl 3-Bromo-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate is an intermediate in the synthesis of GNE-781 (D447825), a derivative of a highly advanced, potent and selective bromodomain inhibitor of cyclic adenosine monophosphate response element binding protein (CBP). Inhibition of the bromodomain of the transcriptional regulator CBP/P300 is an especially interesting new therapeutic approach in oncology.
Molecular Weight:	302.17
Molecular Formula:	C11H16BrN3O2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC2=C(C1)C(=NN2)Br
InChI:	InChI=1S/C11H16BrN3O2/c1-11(2,3)17-10(16)15-5-4-8-7(6-15)9(12)14-13-8/h4-6H2,1-3H3,(H,13,14)
InChI Key:	CJOZZZFCHFPLJL-UHFFFAOYSA-N
Solubility:	Dichloromethane
Appearance:	Light Green Solid
References:	Romero, F.A.; et al. J. Med. Chem, DOI: 10.1021/acs.jmedchem.7b00796 (2017).

Complexity:	306
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	301.04259
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	301.04259
Rotatable Bond Count:	2
Topological Polar Surface Area:	58.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2