334998-36-6

334998-36-6 structure

Name: CUR-61414
Chemical Name: N-[(3S,5S)-1-(1,3-benzodioxol-5-ylmethyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-[(3-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CAS Number: 334998-36-6
Molecular Formula: C₃₁H₄₂N₄O₅
Molecular Weight: 550.689
Catalog: Signaling Pathways Apoptosis Apoptosis
Create Date: 2016-12-25 01:16:20
Modify Date: 2024-01-03 12:39:21
CUR61414 is a novel, potent and cell permeable Hedgehog signaling pathway inhibitor (IC50 =100-200 nM). CUR61414 is a small-molecule aminoproline class compound and selectively binds to smoothened (Smo) with a Ki value of 44 nM. CUR-61414 can induce apoptosis in cancer cells without affecting neighboring non-tumor cells[1][2].

Name	N-[(3S,5S)-1-(1,3-benzodioxol-5-ylmethyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-[(3-methoxyphenyl)methyl]-3,3-dimethylbutanamide
Synonyms	N-[(3S,5S)-1-(1,3-Benzodioxol-5-ylmethyl)-5-(1-piperazinylcarbonyl)-3-pyrrolidinyl]-N-(3-methoxybenzyl)-3,3-dimethylbutanamide N-((3S,5S)-1-(benzo[d][1,3]dioxol-5-ylmethyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl)-N-(3-methoxybenzyl)-3,3-dimethylbutanamide Butanamide,N-[(3S,5S)-1-(1,3-benzodioxol-5-ylmethyl)-5-(1-piperazinylcarbonyl)-3-pyrrolidinyl]-N-[(3-methoxyphenyl)methyl]-3,3-dimethyl Butanamide, N-[(3S,5S)-1-(1,3-benzodioxol-5-ylmethyl)-5-(1-piperazinylcarbonyl)-3-pyrrolidinyl]-N-[(3-methoxyphenyl)methyl]-3,3-dimethyl- N-[(3S,5S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-5-((PIPERAZIN-1-YL)CARBONYL)-3-PYRROLIDINYL]-N-[(3-METHOXYPHENYL)METHYL]-3,3-DIMETHYLBUTANAMIDE

Description	CUR61414 is a novel, potent and cell permeable Hedgehog signaling pathway inhibitor (IC50 =100-200 nM). CUR61414 is a small-molecule aminoproline class compound and selectively binds to smoothened (Smo) with a Ki value of 44 nM. CUR-61414 can induce apoptosis in cancer cells without affecting neighboring non-tumor cells[1][2].
Related Catalog	Signaling Pathways >> Stem Cell/Wnt >> Smo Signaling Pathways >> Apoptosis >> Apoptosis Signaling Pathways >> Stem Cell/Wnt >> Hedgehog Research Areas >> Inflammation/Immunology
Target	Hedgehog inhibitor[1]
In Vitro	CUR61414 is able to arrest proliferation of basal cells within the BCC-like lesions and induce cells to undergo apoptosis resulting in complete regression of the lesions, without affecting neighboring skin cells[1].
In Vivo	CUR61414 cause regression of these lesions in the mice, which are exposed to UV light irradiation for 6-9 months, producing many microscopic BCC-like basaloid lesions throughout their skin. Moreover,a significant increase in apoptotic nuclei can be seen in basaloid nests after CUR61414 treatment and no overt toxicity is observed in the skin surrounding the lesions[1].
References	[1]. Williams JA, et al. Identification of a small molecule inhibitor of the hedgehog signaling pathway: effects on basal cell carcinoma-like lesions.Proc Natl Acad Sci U S A. 2003 Apr 15;100(8):4616-21. Epub 2003 Apr 4. [2]. Frank-Kamenetsky M, et al. Small-molecule modulators of Hedgehog signaling: identification and characterization of Smoothened agonists and antagonists.J Biol. 2002 Nov 6;1(2):10.

Density	1.3±0.1 g/cm3
Boiling Point	714.1±60.0 °C at 760 mmHg
Molecular Formula	C₃₁H₄₂N₄O₅
Molecular Weight	550.689
Flash Point	385.7±32.9 °C
Exact Mass	550.315491
PSA	83.58000
LogP	3.28
Vapour Pressure	0.0±2.3 mmHg at 25°C
Index of Refraction	1.616

Symbol	GHS06
Signal Word	Danger
Hazard Statements	H301
Precautionary Statements	P301 + P310
Hazard Codes	T+
RIDADR	UN 2811 6.1 / PGIII

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