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999			_c16065 _d16065
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040			_aAIKTC-KRRC _cAIKTC-KRRC
100			_910280 _aBanerjee, Kaushik
245			_aModulation of morphology and efficacy of new CB1 receptor antagonist using simple and benign polymeric additives
250			_aVol.60(B), July
260			_aNew Delhi _bCSIR _c2021
300			_a1014-1021p.
520			_aThe compound 1, [(1H-[1]benzoxepino[5,4-c]pyrazole-3-carboxamide, 8-chloro-1-(2,4-dichlorophenyl)-4,5-dihydro-N- 1-piperidinyl], a known CB1 modulator has been synthesized and characterized by IR, NMR and single Crystal X-ray study. The single crystal study of 1 displays a number of halogen bonds leading to 1-D network along with other weak noncovalent interactions. The CB1 modulator 1 inherently possesses extremely low solubility in water, which makes its application as drug difficult, and this may be attributed to multiple halogen bonds present in the crystal structure. A series of polymer additives, which are Generally Regarded As Safe (GRAS), have been explored to investigate whether they can modulate the halogen bond present in 1 through formation of various non-bonded interactions. Surprisingly, these polymers are found to change crystal morphology, crystal packing while retaining efficacy and bioavailability. The polymer molecular weight is found to play a significant role in crystal morphology modification especially in case of polyethylene glycol (PEG). The formation of new polymorphic forms of 1 and modification of halogen bond has been established using powder X-ray diffraction and IR study, respectively, in case of PEG 4000, PVPK-30, PVA polymers and compound 1 adducts.
650		0	_95009 _aGENERAL CHEMISTRY
700			_915601 _aPatel, Darshit R.
773	0		_tIndian journal of chemistry (Section B) _dNew Delhi NISCAIR-CSIR 2005
856			_uhttp://nopr.niscair.res.in/bitstream/123456789/58176/1/IJC%20%28Section%20B%29%2c%2060B%2c%201014-1021%20%28Jul%2c2021%29.pdf _yClick here
942			_2ddc _cAR