PAC-1

PAC-1
Identifiers
	IUPAC name 2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxy-3-prop-; 2-enyl-phenyl)methylideneamino]acetamide;
CAS Number	315183-21-2 ;
PubChem CID	1185541;
IUPHAR/BPS	5238;
ChemSpider	12272376 ;
UNII	9LIS8N0B2C;
CompTox Dashboard (EPA)	DTXSID30897425 ;
ECHA InfoCard	100.164.322
Chemical and physical data
Formula	C23H28N4O2
Molar mass	392.503 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES C=CCc3cccc(/C=N\NC(=O)CN2CCN(Cc1ccccc1)CC2)c3O;
	InChI InChI=1S/C23H28N4O2/c1-2-7-20-10-6-11-21(23(20)29)16-24-25-22(28)18-27-14-12-26(13-15-27)17-19-8-4-3-5-9-19/h2-6,8-11,16,29H,1,7,12-15,17-18H2,(H,25,28)/b24-16- ; Key:YQNRVGJCPCNMKT-JLPGSUDCSA-N ;
	(verify)

PAC-1 (first procaspase activating compound) is a synthesized chemical compound that selectively induces apoptosis, in cancerous cells.^{[note 1]} It was granted orphan drug status by the FDA in 2016.
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[note 1]

Identifiers

IUPAC name 2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxy-3-prop- 2-enyl-phenyl)methylideneamino]acetamide
CAS Number	315183-21-2^Y
PubChem CID	1185541
IUPHAR/BPS	5238
ChemSpider	12272376^Y
UNII	9LIS8N0B2C
CompTox Dashboard (EPA)	DTXSID30897425
ECHA InfoCard	100.164.322
Chemical and physical data
Formula	C₂₃H₂₈N₄O₂
Molar mass	392.503 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES C=CCc3cccc(/C=N\NC(=O)CN2CCN(Cc1ccccc1)CC2)c3O
InChI InChI=1S/C23H28N4O2/c1-2-7-20-10-6-11-21(23(20)29)16-24-25-22(28)18-27-14-12-26(13-15-27)17-19-8-4-3-5-9-19/h2-6,8-11,16,29H,1,7,12-15,17-18H2,(H,25,28)/b24-16-^Y Key:YQNRVGJCPCNMKT-JLPGSUDCSA-N^Y
(verify)