TECHNICAL PROGRAM - American Chemical Society Publications

8:30 1. 2-Aminothiazoles derivatives as potent
�-secretase modulators. S. Cheng,
D. Comer, L. Mao, D. Pleynet, C. Yu,
M. Z. Kounnas, C. Tyree, A. D. Danks,
S. L. Wagner, W. T. Comer
8:50 2. New aminohydantoins as BACE1 inhibitors.
M. S. Malamas, A. Robichaud,
J. Erdei, D. Quagliato, W. Fobare,
A. Porte, J. Kim, W. Solvibile, P. Zhou,
R. McDevitt, K. Morris, S. Antane,
J. Turner, E. Wagner, K. Fan, J. Bard,
S. Jacobsen, P. Reinhart, M. Pangalos,
D. Riddell
9:10 3. New potent and selective PDE10A
inhibitors for the treatment of schizophrenia.
M. S. Malamas, Y. Ni, J. Erdei,
K. Fan, N. Hoefgen, H. Stange,
R. Schindler, C. Grunwald, U. Egerland,
B. Langen, T. Hage, T. Kronbach,
S. Grauer, B. Harrison, A. Robichaud,
K. Marquis, T. Comery, J. Dunlop,
M. Pangalos, N. Brandon
9:30 4. Amino imidazoles as �-secretase inhibitors
for treatment of Alzheimer’s disease.
M. Brodney, K. Borzilleri,
S. Capetta, L. Chenard, K. Coffman,
P. Dorf, J. Dutra, I. Efremov, C. Helal,
G. Kauffman, L. Lanyon, D. Liston, J. Liu,
F. Nelson, C. Oborski, B. O’Neill,
T. O’Sullivan, B. Sahagan, F. Vajdos,
M. Wessel, J. Withka, T. N. O’Connell,
H. Wang
9:50 5. Development of TRPM8 selective
antagonists for the treatment of inflammatory
and neuropathic pain.
H. Monenschein, Y. Bo, J. Clarine,
C. Davis, H. Deng, V. Gore, D. Horne,
M. Horner, M. Kaller, S. Lehto, V. Ma,
K. Nagapudi, T. Nguyen, N. Nishimura,
M. Norman, N. Tamayo, J. Treanor,
Y. Wang, T. Wang, W. Wang, K. Wild,
B. Youngblood, M. Zhang, W. Zhong,
D. Zhu, N. Gavva
10:10 6. Discovery of new high-affinity
PDE10 inhibitors using fragment based
lead generation and knowledge-based
design. J. S. Albert, D. Aharony,
T. Akerud, U. Bauer, N. Dekker, J. Forst,
S. Geschwindner, C. Holmquist,
P. Johansson, C. Scott, L. Spadola,
N. Spear, G. Tian, X. Wang, D. Wilkins,
M. Wood, E. Back, P. Hillertz,
R. Horsefield, A. Tigerstrom
10:30 7. Discovery of potent and orally bioavailable
phthalazinone Bradykinin B1 receptor
antagonists for chronic pain.
K. Biswas, T. A. Peterkin, M. C. Bryan,
L. Arik, S. G. Lehto, H. Sun, F. Hsieh,
C. Xu, R. T. Fremeau, J. R. Allen
10:50 8. Rational design, synthesis and
structure-activity relationships of novel
bicyclic azole-amines as negative allosteric
modulators of Metabotropic Glutamate
Receptor 5. D. F. Burdi, R. Hunt,
L. Fan, T. Hu, J. Wang, Z. Guo, Z. Huang,
C. Wu, L. Hardy, M. Detheux,
M. A. Orsini, M. S. Quinton, R. Lew,
K. Spear
11:10 9. Activation of retinoic acid inducible
gene (RIG-I) by nucleotide analogs: A potential
novel mechanism for antiviral discovery.
R. P. Iyer, J. E. Coughlin,
S. Padmanabhan, B. Korba, S. Myong
11:30 10. Discovery of the 1,7-diazacarbazole
class of inhibitors of checkpoint kinase
1. L. J. Gazzard
11:50 11. Rapid discovery of a DP1 antagonist
series with good developability characteristics.
S. Peace, M. Foster,
S. Campos, M. Crawford, G. Inglis,
J. Pritchard, J. Redmond, D. Tape,
A. Craven, I. Campbell, S. Keeling,
R. Wheeler, Y. Solanke, L. Butterfield,
C. Edwards, N. Lindsay
12:10 12. Discovery and optimization of
benzylphenoxyethyluracil to yield non-nucleoside
inhibitors of HIV-1 reverse transcriptase
using virtual screening and freeenergy
calculations. V. V. Thakur,
R. A. Domaoal, S. E. Nichols,
K. S. Anderson, W. L. Jorgensen
Section A
Boston Convention & Exhibition Center
Ballroom West
60 Years of Chemical Research at the
National Institute of Diabetes & Digestive &
Kidney Diseases
K. A. Jacobson, J. Hanover, Organizers,
Presiding
9:00 13. Medicinal chemistry in opioid research:
Looking back. K. C. Rice
9:45 14. Targeting O-GlcNAc cycling: Impact
on the epigenetics of diabesity and
immunity. J. A. Hanover
10:20 15. Membrane trafficking complexes
of the ESCRT pathway. J. H. Hurley
10:55 16. G Protein-coupled receptor signaling
pathways in pancreatic beta-cells.
J. Wess
11:30 17. New frontiers for selective agonists
and antagonists of adenosine and
P2Y receptors. K. A. Jacobson
Tautomers and Biology
Computer Handling of Tautomers
Sponsored by COMP, Cosponsored by CINF,
MEDI, and PHYS
SUNDAY AFTERNOON
Section A
Boston Convention & Exhibition Center
Ballroom West
First Time Disclosure of Clinical Candidate
Financially supported by Lundbeck Research,
USA
A. J. Robichaud, Organizer, Presiding
2:00 18. First disclosure of PF-03715455:
An inhaled p38 inhibitor for the treatment
of chronic obstructive pulmonary disease.
D. Millan, M. Bunnage, K. Butcher,
P. Dodd, T. Evans, D. Fairman,
S. Hughes, I. Kilty, A. Lemaitre,
R. Lewthwaite, J. Mathias, C. Phillips,
R. Smith, M. Stefaniak, M. Yeadon
2:30 19. Discovery of PSI-352938 and PSI-
353661: Purine nucleotide prodrugs for
the treatment of HCV. M. J. Sofia,
D. Bao, W. Chang, B. Chun, J. Du,
D. Nagarathnam, S. Rachakonda,
P. G. Reddy, B. S. Ross, H. Zhang,
S. Bansal, H. Bao, C. L. Espiritu,
M. Keilman, A. M. Lam, E. Murakami,
C. Niu, H. M. Steuer, T. Tolstykh,
V. Zennou, P. A. Furman, M. J. Otto
3:00 20. Discovery and early development
of ALKS-33, an opioid modulator for
treatment of reward disorders.
&. Almarsson, D. R. Deaver,
R. Z. Turncliff, M. Wentland, E. Ehrich
3:30 21. Discovery of a new class of SGLT2
inhibitors. V. Mascitti
4:00 22. INS115644 (latrunculin B): A potential
new treatment for glaucoma.
P. S. Watson, W. Peterson, J. Vittitow,
J. Lampe, J. She, L. Trevino, L. Richards,
R. Krishnamoorthy
Section B
Boston Convention & Exhibition Center
Room 253A/B
General Oral Session
J. Zablocki, Organizer, Presiding
2:00 23. Making agonists from antagonists:
SAR106881, a breakthrough in FGFRs
activation and a potential treatment to improve
peripheral revascularization and reduce
neuropathic pain. N. Guillo
2:20 24. Using irreversibility to achieve enhanced
potency and selectivity against
the HCV protease. D. Niu, M. Hagel,
L. Qiao, T. St. Martin, M. P. Sheets,
Z. Zhu, M. T. Labenski, P. Chaturvedi,
M. Nacht, W. F. Westlin, R. C. Petter,
J. Singh
2:40 25. Chemical biology of chromatin regulation:
The first small molecule antagonists
of MBT domains. J. Herold,
T. J. Wigle, C. Gao, D. B. Kireev,
W. P. Janzen, S. V. Frye
3:00 26. PXR agonism and drug-drug interactions:
Structure based design to eliminate
PXR mediated CYP induction.
J. Ramanjulu, L. Casillas, A. Charnley,
M. DeMartino, X. Dong, P. Harris,
J. Jeong, Y. Lan, A. Rahman,
S. P. Williams, A. Lakdawala, L. Dare,
S. Hoffman, M. Schaeffer, S. Kumar,
R. Marquis
3:20 27. Discovery of CRM1-mediated nuclear
transport inhibitors as novel modulators
of epigenetic enzymes.
V. Sandanayaka, R. Nir, S. Shechter,
M. Kauffman, S. Shacham
3:40 28. Identification of the pharmacophore
of 4EGI-1, an inhibitor of translation initiation
with anti-cancer activity.
E. Y. Kabha,Y.Wang,L.Chen,
N. Zhang, R. Rodriguez,
E. Papadopoulos, G. Wagner,
B. H. Aktas, J. A. Halperin, M. Chorev
4:00 29. High-affinity binding of small-molecules
to the intrinsically disordered c-Myc
oncoprotein. A. Viacava Follis, H. Wang,
D. I. Hammoudeh, E. V. Prochownik,
S. J. Metallo
4:20 30. Design and synthesis of HDAC inhibitors
for property based optimization.
E. Choi,J.Park,J.Seo,G.Han
4:40 31. Identification of the b-amyloid PET
ligand candidate MK-3328.
S. T. Harrison, J. C. Barrow, J. J. Cook,
J. C. Culberson, H. Fan, G. D. Hartman,
E. Hostetler, P. J. Miller, J. J. Mulhearn,
S. S. O’Malley, C. Ryan, S. Sanabria,
C. Sur, S. E. Wolkenberg, D. L. Williams,
Z. Zeng
5:00 32. Long-residence time kinase inhibitors:
Binding kinetics in fragment-based
design. G. Mueller, P. C. Sennhenn,
L. Neumann
5:20 33. Novel and efficient inhibitors of
peptidyl-prolyl-cis/trans-isomerases Pin1
and cyclophilin. M. Braun
Using Waters Explicitly in Drug Discovery
Theory and Methods Sponsored by COMP,
Cosponsored by CINF and MEDI
SUNDAY EVENING
Section A
Boston Convention & Exhibition Center
Hall C
Poster Session and Social Hour
J. Zablocki, Organizer
7:00–9:00
34. Spirocyclic sulfamides as �-secretase inhibitors
for treatment of Alzheimer’s disease.
M. Brodney, C. Ambroise, F. Bian,
K. Borzilleri, H. Coffey, K. Coffman,
C. Christoffersen, I. Efremov,
E. Hajos-Korcsok, D. Hannah, C. Helal,
G. Kauffman, L. Lanyon, D. Liston, J. Liu,
Y. Lu, L. Martinez-Alsina, J. Murray,
F. Nelson, S. Noell, C. Nolan, C. Oborski,
B. O’Neill, K. Ogilvie, B. Sahagan,
J. Tuttle, F. Vajdos, J. Withka
35. Amyloid beta aggregates as intrinsic
platforms for assembling a non-conjugated
non-bioengineered FRET pair.
C. Ran, A. Moore
36. Curcumin analogs as “turn-on” fluorescent
probes for a wide variety of amyloid
beta species and in vivo imaging with
transgenic mice. C. Ran, A. Moore
37. Structure-activity relationship of dual target
inhibitors of amyloid-beta self-assembly.
A. Sood, A. Kulkarni, D. Borkin,
S. Bag, S. Dasgupta, H. LeVine III,
B. Torok, M. Torok
38. Development of hydantoin spiropiperidines
as potent BACE1 inhibitors.
J. M. Wai, M. Egbertson, D. Perlow,
C. Coburn, L. Neilson, S. Pitzenberger,
G. McGaughey, D. Colussi,
S. Haugabook, K. Tugusheva, J. Chang,
C. Fandozzi, T. Allison, M. Dancho,
M. Michener, D. Posavec, N. Pudvah,
J. Vacca, S. Graham
39. Evaluation of virtual screening methods
towards the discovery of new functional
transthyretin amyloid inhibitors.
C. J. Simões, T. Mukherjee,
R. M. Jackson, R. M. Brito
40. Novel amides and ureas as �-secretase
modulators. H. Zhou, C. Fischer,
L. Surdi, S. Zultanski, P. Tempest,
B. Hughes, R. Middleton, N. Smotrov,
N. Bays, S. Shah, B. Munoz,
M. Shearman
41. Novel iminopyrimidinone �-secretase
(BACE) inhibitors: P1-thiophenes.
J. D. Scott, S. W. Li, E. J. Gilbert,
C. Huang, J. Cumming, U. Iserloh,
R. D. Mazzola, S. Babu, J. Caldwell,
X. Chen, K. Cox, M. Czarniecki, J. Durkin,
L. Favreau, T. Gu, W. J. Greenlee,
R. Hodgson, Y. Huang, L. Hyde, Q. Jiang,
M. Kennedy, R. Kuvelkar, G. Li,
V. Madison, B. McKittrick, M. W. Miller,
P. Orth, J. Pan, E. Parker, P. Pasetto,
A. W. Stamford, C. Strickland, Z. Sun,
D. Tadesse, J. Voight, L. Wang,
B. Werner, J. Wong, Y. Wu, L. Zhang,
Q. Zhang, Z. Zhu
42. Tetracyclic sulfones as gamma secretase
inhibitors. T. K. Sasikumar
43. Novel inhibitors of AHCY for the treatment
of Alzheimer’s disease.
T. J. Hartingh, A. Converso, M. E. Fraley,
E. J. Brnardic, R. M. Garbaccio,
G. D. Hartman, S. Y. Huang, E. S. Tasber,
S. D. Young, L. H. Gold, J. M. Majercak,
A. McCampbell, S. Na, W. J. Ray,
M. J. Savage, Y. Yu, C. Fandozzi,
R. White, S. Yeh, S. M. Galloway,
J. G. DeLuca, V. Reddy, K. Holloway,
T. Allison, S. Munshi, K. Rickert
44. Design and synthesis of neuroprotective
NO chimeras with GABA A potentiating
activity as Alzheimer’s disease therapeutics.
Z. Qin, J. Luo, L. VandeVrede,
G. R. Thatcher
45. Common antibiotics used in the treatment
of gram negative infectious diseases.
S. S. Mantravadi
46. Evidence for the production of novel
macrocyclic antibiotics from the marine
bacterium Pseudovibrio denitrificans.
M. I. Vizcaino, P. J. Morris, P. D. Moeller
47. Design and synthesis of dual CDK2 and
CDK7 inhibitors. E. Meschini,
J. A. Endicott, B. T. Golding,
I. R. Hardcastle, D. R. Newell,
M. E. Noble, L. Wang, R. J. Griffin
48. Synthesis of novel carboxypeptidase ligands
for tumor imaging.
C. Kuechenthal, W. Maison
49. Synthesis and anticancer activity of fatty
acid derivatives of cytarabine.
B. S. Chhikara, D. Mandal, k. Parang
50. Application of in silico design and highthroughput
chemistry platform in the lead
optimization of selective and potent mutant-B-RAF
inhibitors. C. J. Brassard,
J. Lapierre, R. Nicewonger, J. Ring,
K. Bresciano, T. Hall, J. Szwaya, C. Chen,
D. France, M. A. Ashwell
51. Discovery and optimization of a potent
and selective triazolopyridinone series of
c-Met inhibitors. C. M. Bode,
A. A. Boezio, B. K. Albrecht, S. F. Bellon,
M. Broome, D. Choquette, M. Lin, K. Rex,
J. Harmange
52. Discovery of water soluble N,2-dimethyl-
N-substituted phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amines
as antimitotic
agents that circumvent taxol
resistance. A. Gangjee, Y. Zhao,
S. Mooberry
53. Discovery of substituted pyrrolo[2,3d]pyrimidines
as water soluble antitubulin
antitumor agents. A. Gangjee, L. Lin,
S. L. Mooberry, E. Hamel
The official technical program
for the 240th National Meeting
is available at:
www.acs.org/boston2010
MEDI
TECH–73