Catalog No.:AA01EPOJ

2029049-79-2 | N-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydro-1-naphthalenyl]amino]propyl]-4-(trifluoromethoxy)-benzamide

Name: Name:N-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydro-1-naphthalenyl]amino]propyl]-4-(trifluoromethoxy)-benzamide
Brand: AABLOCKS
SKU: AA01EPOJ
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1mg

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5mg

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10mg

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25mg

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Technical Information
Properties
Literature
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Technical Information
Properties
Literature

Technical Information

Catalog Number:

AA01EPOJ

Chemical Name:

N-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydro-1-naphthalenyl]amino]propyl]-4-(trifluoromethoxy)-benzamide

CAS Number:

2029049-79-2

Molecular Formula:

C21H21F3N2O3

Molecular Weight:

406.3982

MDL Number:

MFCD30489750

SMILES:

O=C(N[C@@H]1CCCc2c1cccc2)CCNC(=O)c1ccc(cc1)OC(F)(F)F

Properties

Computed Properties

Complexity:

562

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Rotatable Bond Count:

XLogP3:

3.9

Literature

Title: Sykes DB et al. Discovering Small Molecules that Overcome Differentiation Arrest in Acute Myeloid Leukemia. National Center for Biotechnology Information (US); 2010-2013 Dec 15.

Title: David B Sykes, et al. Inhibition of Dihydroorotate Dehydrogenase Overcomes Differentiation Blockade in Acute Myeloid Leukemia. Cell. 2016 Sep 22;167(1):171-186.e15.

Title: Timothy A Lewis, et al. Development of ML390: A Human DHODH Inhibitor That Induces Differentiation in Acute Myeloid Leukemia. ACS Med Chem Lett. 2016 Sep 28;7(12):1112-1117.

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SDS