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PAC-1-[d8]

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General Information
Catalog: BLP-003716
CAS: 1287241-26-2
Molecular Formula: C23H20D8N4O2
Molecular Weight: 400.54

Chemical Structure

Description	PAC-1-[d8], is the labelled analogue of PAC-1. PAC-1 is a synthesized chemical compound that selectively induces apoptosis, in cancerous cells.
Synonyms	4-(Phenylmethyl)-1-(piperazine-d8)acetic Acid (2E)-2-[[2-Hydroxy-3-(2-propen-1-yl)phenyl]methylene]hydrazide; PAC-1 D8
IUPAC Name	2-(4-benzyl-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
Related CAS	1044929-62-5 (unlabelled)
Canonical SMILES	C=CCC1=C(C(=CC=C1)C=NNC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O
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-/i12D2,13D2,14D2,15D2
InChI Key	YQNRVGJCPCNMKT-CIXWFQEHSA-N
Melting Point	129-131°C
Density	1.1±0.1 g/cm3
Solubility	Soluble in DMSO, Methanol
Appearance	Off-white Solid
Storage	Store at-20°C, Under inert atmosphere