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Saracatinib (difumarate)

CAT: 0804-HY-10234A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-10234A-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Saracatinib (AZD0530) difumarate is a potent Src inhibitor with IC50 values of 2.7-11 nM for c-Src, Lck, c-YES, Lyn, Fyn, Fgr and Blk, and is selective for other tyrosine kinases. [1].
CAS Number
893428-72-3
Product Name Alternative
AZD0530 (difumarate)
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
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/saracatinib-difumarate.html
Purity
99.24
Solubility
DMSO : 83.33 mg/mL (ultrasonic)
Smiles
ClC1=CC=C2C(OCO2)=C1NC3=C4C(OC5CCOCC5)=CC(OCCN6CCN(C)CC6)=CC4=NC=N3.OC(/C=C/C(O)=O)=O.OC(/C=C/C(O)=O)=O
Molecular Formula
C35H40ClN5O13
Molecular Weight
774.17
Precautions
P261-P280-P302+P352
References & Citations
[1]Green TP, et al. Preclinical anticancer activity of the potent, oral Src inhibitor AZD0530. Mol Oncol, 2009, 3 (3), 248-261.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 3

Chemical Information

Saracatinib Difumarate

Saracatinib Difumarate is the difumarate salt of saracatinib, an orally available 5-, 7-substituted anilinoquinazoline with anti-invasive and anti-tumor activities. Saracatinib is a dual-specific inhibitor of Src and Abl, protein tyrosine kinases that are overexpressed in chronic myeloid leukemia cells. This agent binds to and inhibits these tyrosine kinases and affects cell motility, cell migration, adhesion, invasion, proliferation, differentiation, and survival. Specifically, Saracatinib inhibits Src kinase-mediated osteoclast bone resorption.

CAS Number893428-72-3
PubChem CID44195703
IUPAC Namebis((E)-but-2-enedioic acid);N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(oxan-4-yloxy)quinazolin-4-amine
Molecular FormulaC35H40ClN5O13
Molecular Weight774.2
Topological Polar Surface Area240
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count18
Rotatable Bond Count12
Heavy Atom Count54
Formal Charge0
Complexity862
SMILES
CN1CCN(CC1)CCOC2=CC3=C(C(=NC=N3)NC4=C(C=CC5=C4OCO5)Cl)C(=C2)OC6CCOCC6.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
InChI
InChI=1S/C27H32ClN5O5.2C4H4O4/c1-32-6-8-33(9-7-32)10-13-35-19-14-21-24(23(15-19)38-18-4-11-34-12-5-18)27(30-16-29-21)31-25-20(28)2-3-22-26(25)37-17-36-22;2*5-3(6)1-2-4(7)8/h2-3,14-16,18H,4-13,17H2,1H3,(H,29,30,31);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+
InChIKey
OQXMMAQEMJUIQM-LVEZLNDCSA-N
Chemical Structure
2D Structure
2D structure of Saracatinib Difumarate
CAS: 893428-72-3
CID: 44195703
Formula: C35H40ClN5O13
MW: 774.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight774.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count18
Rotatable Bond Count12
Exact Mass773.2311140
Monoisotopic Mass773.2311140
Topological Polar Surface Area240 Ų
Heavy Atom Count54
Formal Charge0
Complexity862
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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