A331440

• CAT Number: I000216
• CAS Number: 392338-13-5
• Molecular Formula: C22H27N3O
• Molecular Weight: 349.478
• Purity: ≥95%
• Synonyms: A331440;4-[4-[3-[(3R)-3-dimethylaminopyrrolidin-1-yl]propoxy]phenyl]benzonitrile
• Target: receptor modulator
• Solubility: Soluble in DMSO
• Storage: Store at RT
• IUPAC Name: 4-[4-[3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]benzonitrile
• InChI: InChI=1S/C22H27N3O/c1-24(2)21-12-14-25(17-21)13-3-15-26-22-10-8-20(9-11-22)19-6-4-18(16-23)5-7-19/h4-11,21H,3,12-15,17H2,1-2H3/t21-/m1/s1
• InChIKey: FXIPXWLVYIHFEP-OAQYLSRUSA-N
• SMILES: CN(C)C1CCN(C1)CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

A331440(cas 392338-13-5) is an L-histidine and histamine H3 receptor modulator.

Reference

1: Hancock AA, Diehl MS, Fey TA, Bush EN, Faghih R, Miller TR, Krueger KM, Pratt
JK, Cowart MD, Dickinson RW, Shapiro R, Knourek-Segel VE, Droz BA, McDowell CA,
Krishna G, Brune ME, Esbenshade TA, Jacobson PB. Antiobesity evaluation of
histamine H3 receptor (H3R) antagonist analogs of A-331440 with improved safety
and efficacy. Inflamm Res. 2005 Apr;54 Suppl 1:S27-9. PubMed PMID: 15928821.

2: Hancock AA, Diehl MS, Faghih R, Bush EN, Krueger KM, Krishna G, Miller TR,
Wilcox DM, Nguyen P, Pratt JK, Cowart MD, Esbenshade TA, Jacobson PB. In vitro
optimization of structure activity relationships of analogues of A-331440
combining radioligand receptor binding assays and micronucleus assays of
potential antiobesity histamine H3 receptor antagonists. Basic Clin Pharmacol
Toxicol. 2004 Sep;95(3):144-52. PubMed PMID: 15447739.

3: Hancock AA, Bennani YL, Bush EN, Esbenshade TA, Faghih R, Fox GB, Jacobson P,
Knourek-Segel V, Krueger KM, Nuss ME, Pan JB, Shapiro R, Witte DG, Yao BB.
Antiobesity effects of A-331440, a novel non-imidazole histamine H3 receptor
antagonist. Eur J Pharmacol. 2004 Mar 8;487(1-3):183-97. PubMed PMID: 15033391.

4: Faghih R, Esbenshade TA, Krueger KM, Yao BB, Witte DG, Miller TM, Kang CH, Fox
GB, Cowart M, Bennani YL, Hancock AA. Structure-activity relationships of
A-331440: a new histamine-3 antagonist with anti-obesity properties. Inflamm Res.
2004 Mar;53 Suppl 1:S79-80. Epub 2004 Mar 5. PubMed PMID: 15054629.