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2018年5月7日星期一

Original:JNJ 63533054 1802326-66-4, stock more than 100g

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Description: JNJ 63533054 is a potent and selective GPR139 agonist (EC50 = 16 nM) that is brain and cell penetrant. JNJ 63533054 is selective for GPR139 over a panel of GPCRs, ion channels and transporters, including GPR142 and is orally bioavailable.
Name: JNJ 63533054 
CAS#: 1802326-66-4 
Chemical Formula: C17H17ClN2O2 
Exact Mass: 316.09786 
Molecular Weight: 316.79 
Elemental Analysis: C, 64.46; H, 5.41; Cl, 11.19; N, 8.84; O, 10.10

Synonym: JNJ 63533054; JNJ63533054; JNJ-63533054.
IUPAC/Chemical Name: 3-Chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
InChi Key: MWDVCHRYCKXEBY-LBPRGKRZSA-N
InChi Code: InChI=1S/C17H17ClN2O2/c1-12(13-6-3-2-4-7-13)20-16(21)11-19-17(22)14-8-5-9-15(18)10-14/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)/t12-/m0/s1
SMILES Code: O=C(NCC(N[C@H](C1=CC=CC=C1)C)=O)C2=CC=CC(Cl)=C2
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO, not in water
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
Harmonized System Code: 293490

REFERENCES
1: Liu C, Bonaventure P, Lee G, Nepomuceno D, Kuei C, Wu J, Li Q, Joseph V, Sutton SW, Eckert W, Yao X, Yieh L, Dvorak C, Carruthers N, Coate H, Yun S, Dugovic C, Harrington A, Lovenberg TW. GPR139, an Orphan Receptor Highly Enriched in the Habenula and Septum, Is Activated by the Essential Amino Acids L-Tryptophan and L-Phenylalanine. Mol Pharmacol. 2015 Nov;88(5):911-25. doi: 10.1124/mol.115.100412. Epub 2015 Sep 8. PubMed PMID: 26349500.