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Robotnikinin - ≥98%, high purity , CAS No.1132653-79-2

Grade & Purity:

≥98%

Cas Number: 1132653-79-2
Molecular Weight: 454.95
PubChem CID: 25109985

In stock

Item Number

R346308

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SKU	Size	Availability	Price
R346308-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$135.90
R346308-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$441.90
R346308-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$706.90
R346308-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,412.90

a Sonic hedgehog (Shh) signaling modulator

View related series

Hedgehog (25) Stem Cell/Wnt (1019)

Synonyms	N-(4-chlorobenzyl)-2-((2R,6S,E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl)acetamide \| N-[(4-chlorophenyl)methyl]-5,12-dioxo-2R-phenyl-1-oxa-4-azacyclododec-8E-ene-6S-acetamide
Specifications & Purity	≥98%
Storage Temp	Protected from light,Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Robotnikinin is a Sonic hedgehog (Shh) signaling modulator. Robotnikinin inhibits the Shh pathway in human cell lines upstream of Smo and targets the Shh N-terminal protein.

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Macrolactams
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Macrolactams
Alternative Parents	Chlorobenzenes Aryl chlorides Secondary carboxylic acid amides Lactones Lactams Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Macrolactam - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Lactam - Lactone - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Carbonyl group - Organohalogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

IUPAC Name	N-[(4-chlorophenyl)methyl]-2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide
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
InChIKey	DRDSZZCLAHXSAE-BQIDRLATSA-N
Smiles	C1CC(=O)OC(CNC(=O)C(CC=C1)CC(=O)NCC2=CC=C(C=C2)Cl)C3=CC=CC=C3
Isomeric SMILES	C\1CC(=O)O[C@@H](CNC(=O)[C@@H](C/C=C1)CC(=O)NCC2=CC=C(C=C2)Cl)C3=CC=CC=C3
PubChem CID	25109985
Molecular Weight	454.95

Lot Number	Certificate Type	Date	Item
I2423533	Certificate of Analysis	Aug 03, 2024	R346308
I2423534	Certificate of Analysis	Aug 03, 2024	R346308
I2423535	Certificate of Analysis	Aug 03, 2024	R346308
I2423536	Certificate of Analysis	Aug 03, 2024	R346308

Solubility	Soluble in DMSO, ethanol, and DMF.
Sensitivity	Light sensitive
Molecular Weight	454.900 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	454.166 Da
Monoisotopic Mass	454.166 Da
Topological Polar Surface Area	84.500 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	654.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

Robotnikinin - ≥98%, high purity , CAS No.1132653-79-2

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