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SKU | Size | Availability | Price | Qty |
---|---|---|---|---|
A607589-5mg | 5mg | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $629.90 | |
A607589-25mg | 25mg | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $1,918.90 |
Synonyms | 4-(4-(1-(2,4-dichlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)-1 H-pyrazol-5- yl)phenyl)but-3-ynyl nitrate;compound 10 [WO2010104488];Example 2 [WO2010104488] |
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Specifications & Purity | Moligand™ |
Grade | Moligand™ |
Action Type | ANTAGONIST |
Mechanism of action | Antagonist of CB 1 receptor |
Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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IUPAC Name | 4-{4-[1-(2,4-dichlorophenyl)-4-methyl-3-[(piperidin-1-yl)carbamoyl]-1H-pyrazol-5-yl]phenyl}but-3-yn-1-yl nitrate |
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INCHI | InChI=1S/C26H25Cl2N5O4/c1-18-24(26(34)30-31-14-4-2-5-15-31)29-32(23-13-12-21(27)17-22(23)28)25(18)20-10-8-19(9-11-20)7-3-6-16-37-33(35)36/h8-13,17H,2,4-6,14-16H2,1H3,(H,30,34) |
InChi Key | KXXKUWQMQUYUSE-UHFFFAOYSA-N |
Canonical SMILES | [O-][N+](=O)OCCC#Cc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 |
Isomeric SMILES | CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)C#CCCO[N+](=O)[O-] |
PubChem CID | 46912833 |
1. Hua T, Vemuri K, Pu M, Qu L, Han GW, Wu Y, Zhao S, Shui W, Li S, Korde A et al.. (2016) Crystal Structure of the Human Cannabinoid Receptor CB1.. Cell, 167 (3): (750-762.e14). [PMID:27768894] [10.1021/op500134e] |