Robotnikinin

Alternative_name

N-[(4-Chlorophenyl)methyl]-2-[(2R,6S,8E)-5, 12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide
Description

A small-molecule chemical inhibitor of Sonic hedgehog (Shh) signaling, that blocks hedgehog signaling through specific binding and blockade of Shh signaling factor. It is the first-characterized hedgehog inhibitor whose molecular mechanism of action is through blockade of Shh protein and not a subsequent factor of the hedgehog signaling cascades. Robotnikinin binds to the Shh-N terminal protein in a concentration-dependent fashion with a Kd of 9 µM.
CAS Number

1132653-79-2
Structure Available

Yes
Salt Form

No
Molecular Formula

C₂₅H₂₇ClN₂O₄
Molecular Weight

454.95
Cell Permeable

Yes
Purity

≥97% by NMR
Solubilities

DMSO
Handling

Protect from light and air
Tag Line

A small-molecule chemical inhibitor of Sonic hedgehog (Shh) signaling
Storage Condition

-20°C
Shipping Condition

gel pack
Shelf Life

36 months
PubChem CID

25109985
PubChem CID Link
SMILES

C1CC(=O)OC(CNC(=O)C(CC=C1)CC(=O)NCC2=CC=C(C=C2)Cl)C3=CC=CC=C3
InChi

InChI=1S/C25H27ClN2O4/c26-21-13-11-18(12-14-21)16-27-23(29)15-20-9-5-2-6-10-24(30)32-22(17-28-25(20)31)19-7-3-1-4-8-19/h1-5,7-8,11-14,20,22H,6,9-10,15-17H2,(H,27,29)(H,28,31)/b5-2+/t20-,22-/m0/s1
InChi Key

DRDSZZCLAHXSAE-BQIDRLATSA-N
Data Sheet Link
MSDS Available

Yes