SML1507
CRT0066101 hydrochloride
≥98% (HPLC)
Synonym(s):
2-[4-((R)-2-Amino-butylamino)-pyrimidin-2-yl]-4-(1-methyl-1Hpyrazol-4-yl)-phenol hydrochloride, 2-[4-[[(2R)-2-Aminobutyl]amino]-2-pyrimidinyl]-4-(1-methyl-1H-pyrazol-4-yl)-phenol hydrochloride
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About This Item
Empirical Formula (Hill Notation):
C18H22N6O · xHCl
CAS Number:
Molecular Weight:
338.41 (free base basis)
UNSPSC Code:
12352200
NACRES:
NA.77
Quality Level
assay
≥98% (HPLC)
form
powder
color
white to beige
solubility
H2O: 15 mg/mL, clear
storage temp.
−20°C
SMILES string
Cl.[n]1(ncc(c1)c2cc(c(cc2)O)c3nc(ccn3)NC[C@H](N)CC)C
InChI
1S/C18H22N6O.ClH/c1-3-14(19)10-21-17-6-7-20-18(23-17)15-8-12(4-5-16(15)25)13-9-22-24(2)11-13;/h4-9,11,14,25H,3,10,19H2,1-2H3,(H,20,21,23);1H/t14-;/m1./s1
InChI key
NBKRZGHHBBHLOQ-PFEQFJNWSA-N
Biochem/physiol Actions
CRT0066101 is a very potent inhibitor of Protein Kinase D (PKD) isoforms with IC50 values for PKD-1, -2 and -3 = 1, 2.5 and 2 nM, respecitively. CRT0066101 has been shown to have anticancer activity. CRT0066101 potently inhibits proliferation of PANC-1 pancreatic cells, and blocks migration and invasion of U87MG glioblastoma cells. CRT0066101 has also been shown to decrease growth of primary tumors and metastasis of ER(-) breast cancers.
CRT0066101 is a very potent inhibitor of Protein Kinase D (PKD) isoforms.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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Peng Jiang et al.
Cell systems, 6(3), 343-354 (2018-02-13)
Identifying reliable drug response biomarkers is a significant challenge in cancer research. We present computational analysis of resistance (CARE), a computational method focused on targeted therapies, to infer genome-wide transcriptomic signatures of drug efficacy from cell line compound screens. CARE outputs
Global Trade Item Number
| SKU | GTIN |
|---|---|
| SML1507-25MG | 04061832452043 |
| SML1507-5MG | 04061832452050 |