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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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 Number	893428-72-3
PubChem CID	44195703
IUPAC Name	bis((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 Formula	C35H40ClN5O13
Molecular Weight	774.2
Topological Polar Surface Area	240
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	12
Heavy Atom Count	54
Formal Charge	0
Complexity	862

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

CAS: 893428-72-3

CID: 44195703

Formula: C35H40ClN5O13

MW: 774.2

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	774.2
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	12
Exact Mass	773.2311140
Monoisotopic Mass	773.2311140
Topological Polar Surface Area	240 Å²
Heavy Atom Count	54
Formal Charge	0
Complexity	862
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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Catalog	Name
TKB42872	Saracatinib difumarate
020838-01	Saracatinib
A2133-100	Saracatinib (AZD0530)
A10108-100	Saracatinib 100mg

Saracatinib (difumarate)

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