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ECF506

CAT: 0804-HY-112096-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-112096-01Size:1 mg
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Description
ECF506 (NXP900) is a highly potent and orally active YES1/SRC kinase inhibitor with an IC50 of 0.47 nM. eCF506 locks its target into its native “closed” conformation, thereby inhibiting both kinase activity and complex formation with protein partners. eCF506 can be used for the study of esophageal squamous cancer and breast cancer[1].
CAS Number
1914078-41-3
Product Name Alternative
NXP900
UNSPSC
12352005
Hazard Statement
H315, H317, H318, H334, H335, H341, H361, H370, H413
Target
Src
Type
Reference compound
Related Pathways
Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/eCF506.html
Concentration
10mM
Purity
99.77
Solubility
DMSO : 62.5 mg/mL (ultrasonic) |H2O : < 0.1 mg/mL (ultrasonic)
Smiles
NC1=C2C(C3=CC(OC)=C(NC(OC(C)(C)C)=O)C=C3)=NN(CCN4CCC(N(C)C)CC4)C2=NC=N1
Molecular Formula
C26H38N8O3
Molecular Weight
510.63
Precautions
H315, H317, H318, H334, H335, H341, H361, H370, H413
References & Citations
[1]Fraser C, et al. Rapid Discovery and Structure-Activity Relationships of Pyrazolopyrimidines That Potently Suppress Breast Cancer Cell Growth via SRC Kinase Inhibition with Exceptional Selectivity over ABL Kinase. J Med Chem. 2016 May 26;59 (10) :4697-710.|[2]Authors: Sweta Dash, et al. Preclinical efficacy of NXP900, a YES1/SRC kinase inhibitor in esophageal squamous cancer models. Journal of Clinical Oncology. Volume 41, Number 16_suppl.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 1

Chemical Information

tert-butyl (4-(4-amino-1-(2-(4-(dimethylamino)piperidin-1-yl)ethyl)-1H-pyrazolo(3,4-d)pyrimidin-3-yl)-2-methoxyphenyl)carbamate
CAS Number1914078-41-3
PubChem CID121231408
IUPAC Nametert-butyl N-[4-[4-amino-1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]carbamate
Molecular FormulaC26H38N8O3
Molecular Weight510.6
XLogP2.6
Topological Polar Surface Area124
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity742
SMILES
CC(C)(C)OC(=O)NC1=C(C=C(C=C1)C2=NN(C3=NC=NC(=C23)N)CCN4CCC(CC4)N(C)C)OC
InChI
InChI=1S/C26H38N8O3/c1-26(2,3)37-25(35)30-19-8-7-17(15-20(19)36-6)22-21-23(27)28-16-29-24(21)34(31-22)14-13-33-11-9-18(10-12-33)32(4)5/h7-8,15-16,18H,9-14H2,1-6H3,(H,30,35)(H2,27,28,29)
InChIKey
GMPQGWXPDRNCBL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of tert-butyl (4-(4-amino-1-(2-(4-(dimethylamino)piperidin-1-yl)ethyl)-1H-pyrazolo(3,4-d)pyrimidin-3-yl)-2-methoxyphenyl)carbamate
CAS: 1914078-41-3
CID: 121231408
Formula: C26H38N8O3
MW: 510.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data

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