Determine the necessary mass, volume, or concentration for preparing a solution.
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SKU | Size | Availability | Price | Qty |
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N612293-5mg | 5mg | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $1,334.90 | |
N612293-25mg | 25mg | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $2,001.90 |
Specifications & Purity | Moligand™ |
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Grade | Moligand™ |
Action Type | ANTAGONIST |
Mechanism of action | Antagonist of S1P 1 receptor |
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IUPAC Name | (2S)-2-[[4-[3-[[(1R)-1-(4-chloro-3-methylphenyl)ethyl]amino]phenyl]-2,6-dimethylbenzoyl]amino]propanoic acid |
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INCHI | InChI=1S/C27H29ClN2O3/c1-15-11-20(9-10-24(15)28)18(4)29-23-8-6-7-21(14-23)22-12-16(2)25(17(3)13-22)26(31)30-19(5)27(32)33/h6-14,18-19,29H,1-5H3,(H,30,31)(H,32,33)/t18-,19+/m1/s1 |
InChi Key | KYHUARFFBDLROH-MOPGFXCFSA-N |
Canonical SMILES | OC(=O)[C@@H](NC(=O)c1c(C)cc(cc1C)c1cccc(c1)N[C@@H](c1ccc(c(c1)C)Cl)C)C |
Isomeric SMILES | CC1=CC(=CC(=C1C(=O)N[C@@H](C)C(=O)O)C)C2=CC(=CC=C2)N[C@H](C)C3=CC(=C(C=C3)Cl)C |
PubChem CID | 59393720 |
PubChem CID | 59393720 |
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ChEMBL Ligand | CHEMBL3086703 |
GPCRdb Ligand | NIBR-0213 |
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