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Merck
CN

SML0386

Sigma-Aldrich

CUR61414

≥98% (HPLC)

Synonym(s):

N-[(3S,5S)-1-(1,3-Benzodioxol-5-ylmethyl)-5-(1-piperazinylcarbonyl)-3-pyrrolidinyl]-N-[(3-methoxyphenyl)methyl]-3,3-dimethyl-benzamide

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About This Item

Empirical Formula (Hill Notation):
C31H42N4O5
CAS Number:
334998-36-6
Molecular Weight:
550.69
UNSPSC Code:
51111800
PubChem Substance ID:
329825386
NACRES:
NA.77

Key Documents

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Assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL (clear solution, warmed)

storage temp.

−20°C

SMILES string

COc1cccc(CN([C@H]2C[C@@H](N(C2)Cc3ccc4OCOc4c3)C(=O)N5CCNCC5)C(=O)CC(C)(C)C)c1

InChI

1S/C31H42N4O5/c1-31(2,3)17-29(36)35(19-22-6-5-7-25(14-22)38-4)24-16-26(30(37)33-12-10-32-11-13-33)34(20-24)18-23-8-9-27-28(15-23)40-21-39-27/h5-9,14-15,24,26,32H,10-13,16-21H2,1-4H3/t24-,26+/m0/s1

InChI key

WPHXYKUPFJRJDK-AZGAKELHSA-N

Biochem/physiol Actions

CUR61414 is a Hedgehog pathway inhibitor; Smo antagonist.
CUR61414 specifically binds to, and antagonizes the activity of smoothened (Smo) in the hedgehog signaling pathway. CUR61414 inhibits proliferation and induces apoptosis in tumor cells without affecting non-tumor cells.

Pictograms

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Statements

H301

Hazard Classifications

Acute Tox. 3 Oral

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
082M4732V

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