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Merck
CN

SML2454

Q151

≥98% (HPLC)

Synonym(s):

(2S)-N-[2-(4-cyanophenyl)-5-benzoxazolyl]-2-[(2,3-difluorophenyl)amino]propanamide, (S)-N-(2-(4-cyanophenyl)benzo[d]oxazol-5-yl)-2-((2,3-difluorophenyl)amino)propanamide

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About This Item

Empirical Formula (Hill Notation):
C23H16F2N4O2
CAS Number:
2226449-95-0
Molecular Weight:
418.40
UNSPSC Code:
51111800
NACRES:
NA.77

Key Documents

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InChI

1S/C23H16F2N4O2/c1-13(27-18-4-2-3-17(24)21(18)25)22(30)28-16-9-10-20-19(11-16)29-23(31-20)15-7-5-14(12-26)6-8-15/h2-11,13,27H,1H3,(H,28,30)/t13-/m0/s1

InChI key

QUSYLBPSSGPXBL-ZDUSSCGKSA-N

SMILES string

FC1=C(N[C@@H](C)C(NC2=CC(N=C(C3=CC=C(C#N)C=C3)O4)=C4C=C2)=O)C=CC=C1F

assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

−20°C

Related Categories

Biochem/physiol Actions

Inosine 5′-monophosphate dehydrogenase 2 (IMPDH2) inhibitor
Q151 is an inhibitor of bacterial inosine 5′-monophosphate dehydrogenase 2 (IMPDH2) with an IC50 value of 18 nM. It does not inhibit human IMPDH

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
0000067238
0000067239
0000062615

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Shibin Chacko et al.
Journal of medicinal chemistry, 61(11), 4739-4756 (2018-05-11)
New drugs and molecular targets are urgently needed to address the emergence and spread of drug-resistant tuberculosis. Mycobacterium tuberculosis ( Mtb) inosine 5'-monophosphate dehydrogenase 2 ( MtbIMPDH2) is a promising yet controversial potential target. The inhibition of MtbIMPDH2 blocks the

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