Cyclopamine-KAAD - Moligand™, ≥95% , Antagonist of SMO, CAS No.306387-90-6, Antagonist of SMO

CAS: 306387-90-6 Cat. No.: C609694 Formule: C₄₄H₆₃N₃O₄ Poids moléculaire: 697.99

GRADE & PURITY Moligand™, ≥95%

Synonyms

KAAD-cyclopamine

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

KAAD-Cyclopamine, a hedgehog signaling inhibitor, is a smoothened antagonist.

Specifications

Synonymes

KAAD-cyclopamine

Spécifications et pureté

Moligand™, ≥95%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

ANTAGONIST

Mécanisme d'action

Antagonist of SMO

Pureté

≥95%

Noms et identifiants

Sourires canoniques

CC1CN(CCNC(=O)CCCCCNC(=O)CCc2ccccc2)C2C(C1)OC1(C2C)CCC2C(=C1C)CC1C2CC=C2C1(C)CCC(=O)C2

IUPAC Name

N-[2-(3',6',10,11b-tetramethyl-3-oxospiro[1,2,4,6,6a,6b,7,8,11,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl)ethyl]-6-(3-phenylpropanoylamino)hexanamide

InChIKey

WDHRPWOAMDJICD-UHFFFAOYSA-N

INCHI

1S/C44H63N3O4/c1-29-25-39-42(47(28-29)24-23-46-40(49)13-9-6-10-22-45-41(50)17-14-32-11-7-5-8-12-32)31(3)44(51-39)21-19-35-36-16-15-33-26-34(48)18-20-43(33,4)38(36)27-37(35)30(44)2/h5,7-8,11-12,15,29,31,35-36,38-39,42H,6,9-10,13-14,16-28H2,1-4H3,(H,45,50)(H,46,49)

Isomères SMILES

C[C@@H]1C2[C@@H](CC(CN2CCNC(=O)CCCCCNC(=O)CCC3=CC=CC=C3)C)OC14CCC5C6CC=C7CC(=O)CCC7(C6CC5=C4C)C

Poids moléculaire

697.99

Reaxy-Rn

26276277

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26276277&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Steroids and steroid derivatives
      • Subclass Steroidal alkaloids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Steroids and steroid derivatives
• Subclass: Steroidal alkaloids
• Intermediate Tree Nodes: Not available
• Direct Parent: Jerveratrum-type alkaloids
• Alternative Parents: Azasteroids and derivatives Alkaloids and derivatives Piperidines N-acyl amines Benzene and substituted derivatives Oxolanes Trialkylamines Secondary carboxylic acid amides Cyclic ketones Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Jerveratrum-type alkaloid - Azasteroid - Alkaloid or derivatives - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Piperidine - Fatty acyl - Benzenoid - Oxolane - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Ketone - Azacycle - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Amine - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as jerveratrum-type alkaloids. These are steroidal alkaloids with a structure that is based on the jervane ring system. Jerveratrum alkaloids have alkamines with 1-3 oxygen atoms, and occur as such or as monoglycosides.
• External Descriptors: Not available

Data sources

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

Cibles associées (humaines)

SMO Tclin Smoothened homolog (1 Activities)

Discover Target: SMO

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)