1132653-79-2
1132653-79-2
Chemical Structure
Robotnikinin
- CAS No.: 1132653-79-2
- Formula:C25H27ClN2O4
- Molecular Weight:454.95
IUPAC Name: N-(4-chlorobenzyl)-2-((2R,6S,E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl)acetamide
InChIKey: DRDSZZCLAHXSAE-BQIDRLATSA-N
SMILES: O=C(NCC1=CC=C(Cl)C=C1)C[C@H](C/C=C/CC2)C(NC[C@@H](C3=CC=CC=C3)OC2=O)=O
Biological Activity: Robotnikinin is a small molecule capable of binding to and inhibiting the activity of Sonic Hedgehog (Shh) signaling up stream of Smo[1][2].
| Cat. No. | Product Name | Purity | Description | Pricing | |||||||||||||||||||
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Robotnikinin | 98.98% | Robotnikinin is a small molecule capable of binding to and inhibiting the activity of Sonic Hedgehog (Shh) signaling up stream of Smo. | ||||||||||||||||||||
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Structural Analogs
-
Similarity Score 0.52
HY-178160SARS-CoV-2 PLpro-IN-2 -
Similarity Score 0.50
HY-150059P2X7 receptor antagonist-2 -
Similarity Score 0.49
HY-118368L-742001 hydrochloride -
Similarity Score 0.49
HY-161758F0045(S) -
Similarity Score 0.48
HY-B0298AClemastine fumarate -
Similarity Score 0.47
HY-Z0067R(2R,4S)-5-(Biphenyl-4-yl)-4-(2,5-dioxopyrrolidin-1-yl)-2-methylpentanoic acid ethyl ester (Standard) -
Similarity Score 0.47
HY-Z19624Cetirizine impurity 3 -
Similarity Score 0.47
HY-153057PRMT5-IN-46 -
Similarity Score 0.47
HY-169380PARL-IN-2 -
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References
- [1]. Manuel Hitzenberger, et al. The Binding Mode of the Sonic Hedgehog Inhibitor Robotnikinin, a Combined Docking and QM/MM MD Study. Front Chem [Content Brief]
- [2]. Benjamin Z Stanton, et al. A small molecule that binds Hedgehog and blocks its signaling in human cells. Nat Chem Biol. 2009 Mar;5(3):154-6. [Content Brief]
