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Merck
CN

SML3320

KRA-533

≥98% (HPLC)

Synonym(s):

4-(4-(2-Bromoacetamido)butyl)benzoic acid, 4-[4-[(Bromoacetyl)amino]butyl]benzoic acid, KRAS Agonist-533, NSC 112533, NSC112533, p-[4-(2-Bromoacetamido)butyl]benzoic acid

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About This Item

Empirical Formula (Hill Notation):
C13H16BrNO3
CAS Number:
10161-87-2
Molecular Weight:
314.18
UNSPSC Code:
12352200
NACRES:
NA.77
MDL number:
MFCD32194457

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InChI

1S/C13H16BrNO3/c14-9-12(16)15-8-2-1-3-10-4-6-11(7-5-10)13(17)18/h4-7H,1-3,8-9H2,(H,15,16)(H,17,18)

SMILES string

O=C(O)C1=CC=C(CCCCNC(CBr)=O)C=C1

InChI key

WZQJLTLURXNPQG-UHFFFAOYSA-N

assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

Quality Level

100

Related Categories

Biochem/physiol Actions

KRA-333 is a potent and selective KRAS agonist that binds directly to the GTP/GDP binding pocket of KRAS preventing the cleavage of GTP into GDP and caucusing accumulation of activated GTP-KRAS and suppression of cell growth. KRA-333 promotes apoptosis and autophagic cell death of cancer cells and inhibits growth of mutant KRAS lung cancer in xenografts mice model.
Potent and selective KRAS agonist that binds directly to the GTP/GDP binding pocket caucusing accumulation of activated GTP-KRAS and suppression of cell growth

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
0000207015
0000207016
0000200849
0000207015
0000207016

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Small Molecule KRAS Agonist for Mutant KRAS Cancer Therapy
Xu K, Park D, Magis AT, Zhang J, Zhou W, Sica GL, Ramalingam SS, Curran WJ, Deng X
Molecular Cancer, 18 (2019)

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