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SML1816

ABC44

≥98% (HPLC)

Synonym(s):

4-(4-Methoxyphenyl)-1-piperazinecarboxylic acid hexahydro-1,3-dioxo-7-[[1-(phenylmethyl)-4-piperidinyl]methyl]imidazo[1,5-a]pyrazin-2-yl ester, 7-((1-Benzylpiperidin-4-yl)methyl)-1,3-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl 4-(4-methoxyphenyl)piperazine-1-carboxylate

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About This Item

Empirical Formula (Hill Notation):
C31H40N6O5
CAS Number:
1831135-46-6
Molecular Weight:
576.69
UNSPSC Code:
12352200
NACRES:
NA.77
Assay:
≥98% (HPLC)
Form:
powder
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Quality Segment

100

assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 10 mg/mL, clear

storage temp.

2-8°C

SMILES string

O=C(N1OC(N2CCN(C3=CC=C(OC)C=C3)CC2)=O)C(CN(CC4CCN(CC5=CC=CC=C5)CC4)CC6)N6C1=O

InChI

1S/C31H40N6O5/c1-41-27-9-7-26(8-10-27)34-16-18-35(19-17-34)31(40)42-37-29(38)28-23-33(15-20-36(28)30(37)39)22-25-11-13-32(14-12-25)21-24-5-3-2-4-6-24/h2-10,25,28H,11-23H2,1H3

InChI key

YHRQLTHMALGXOG-UHFFFAOYSA-N

Biochem/physiol Actions

ABC44 is a cell-active, potent and selective inhibitor of palmitoyl-protein thioesterase 1 (PPT-1).
Cell-active, potent and selective inhibitor of palmitoyl-protein thioesterase 1 (PPT-1)

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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