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H1542

HPI-1 hydrate

Synonym(s):

2-Methoxyethyl 1,4,5,6,7,8-hexahydro-4-(3-hydroxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-3-quinolinecarboxylate, Hedgehog Pathway Inhibitor 1

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About This Item

Empirical Formula (Hill Notation):
C27H29NO6 · xH2O
CAS Number:
599150-20-6
Molecular Weight:
463.52 (anhydrous basis)
NACRES:
NA.77
PubChem Substance ID:
329815167
UNSPSC Code:
51111800
MDL number:
MFCD17215941
Storage condition:
desiccated
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Quality Segment

100

storage condition

desiccated

storage temp.

2-8°C

SMILES string

O.COCCOC(=O)C1=C(C)NC2=C(C1c3cccc(O)c3)C(=O)CC(C2)c4ccccc4OC

InChI

1S/C27H29NO6.H2O/c1-16-24(27(31)34-12-11-32-2)25(17-7-6-8-19(29)13-17)26-21(28-16)14-18(15-22(26)30)20-9-4-5-10-23(20)33-3;/h4-10,13,18,25,28-29H,11-12,14-15H2,1-3H3;1H2

InChI key

BOASXIAGFOONSK-UHFFFAOYSA-N

Biochem/physiol Actions

HPI-1 is a Hedgehog pathway inhibitor; Gli1/Gli2 inhibitor.

pictograms

Exclamation markEnvironment
GHS07,GHS09

signalword

Warning

hcodes

H302,H410

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1

Storage Class

11 - Combustible Solids

wgk

WGK 2

flash_point_f

Not applicable

flash_point_c

Not applicable

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