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cyclopamine-KAAD , CAS No.C609694, Antagonist of SMO

Item Number

C609694

Grouped product items
SKU	Size	Availability	Price	Qty
C609694-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$600.90
C609694-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

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Basic Description

Synonyms	3-keto, N-aminoethyl aminocaproyl dihydrocinnamoyl cyclopamine;KAAD-cyclopamine
Grade	Moligand™
Action Type	ANTAGONIST
Mechanism of action	Antagonist of SMO

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

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
INCHI	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)
InChi Key	WDHRPWOAMDJICD-UHFFFAOYSA-N
Canonical SMILES	CC1CN(CCNC(=O)CCCCCNC(=O)CCc2ccccc2)C2C(C1)OC1(C2C)CCC2C(=C1C)CC1C2CC=C2C1(C)CCC(=O)C2
Isomeric SMILES	CC1CC2C(C(C3(O2)CCC4C5CC=C6CC(=O)CCC6(C5CC4=C3C)C)C)N(C1)CCNC(=O)CCCCCNC(=O)CCC7=CC=CC=C7
PubChem CID	4184747

PubChem CID	4184747
GPCRdb Ligand	cyclopamine-KAAD

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1. Taipale J, Chen JK, Cooper MK, Wang B, Mann RK, Milenkovic L, Scott MP, Beachy PA. (2000) Effects of oncogenic mutations in Smoothened and Patched can be reversed by cyclopamine.. Nature, 406 (6799): (1005-9). [PMID:10984056]

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