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

CAS: 306387-90-6 Cat. No.: C609694 Molecular Weight: 697.99

GRADE & PURITY Moligand™, ≥95%

Synonyms

KAAD-cyclopamine

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

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

Specifications

Synonyms

KAAD-cyclopamine

Specifications & Purity

Moligand™, ≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of SMO

Purity

≥95%

Names and Identifiers

• Canonical Smiles: 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)
• Isomeric SMILES: C[C@@H]1C2[C@@H](CC(CN2CCNC(=O)CCCCCNC(=O)CCC3=CC=CC=C3)C)OC14CCC5C6CC=C7CC(=O)CCC7(C6CC5=C4C)C
• Molecular Weight: 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
    • Class Steroids and steroid derivatives
      • Subclass Steroidal alkaloids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: 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

Associated Targets(Human)

SMO Tclin Smoothened homolog (1 Activities)

Discover Target: SMO

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