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BPR1K871

CAT: 0804-HY-100865-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-100865-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BPR1K871 is a potent and selective dual FLT3/AURKA inhibitor with IC50s of 19 nM and 22 nM for FLT3 and AURKA, respectively, acts as a preclinical development candidate for anti-cancer therapy[1].
CAS Number
2443767-35-7
Product Name Alternative
DBPR114
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
FLT3
Type
Reference compound
Related Pathways
Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/bpr1k871.html
Purity
99.12
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
O=C(NC1=CC(Cl)=CC=C1)NC2=NC=C(S2)CCNC3=NC=NC4=C3C=CC(OCCCN(C)C)=C4
Molecular Formula
C25H28ClN7O2S
Molecular Weight
526.05
Precautions
H302, H315, H319, H335
References & Citations
[1]Hsu YC, et al. Discovery of BPR1K871, a quinazoline based, multi-kinase inhibitor for the treatment of AML and solid tumors: Rational design, synthesis, in vitro and in vivo evaluation. 2016 Dec 27; 7 (52) : 86239–86256.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Bpr-1K871
CAS Number2443767-35-7
PubChem CID126970666
IUPAC Name1-(3-chlorophenyl)-3-[5-[2-[[7-[3-(dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]urea
Molecular FormulaC25H28ClN7O2S
Molecular Weight526.1
XLogP4.8
Topological Polar Surface Area133
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count36
Formal Charge0
Complexity678
SMILES
CN(C)CCCOC1=CC2=C(C=C1)C(=NC=N2)NCCC3=CN=C(S3)NC(=O)NC4=CC(=CC=C4)Cl
InChI
InChI=1S/C25H28ClN7O2S/c1-33(2)11-4-12-35-19-7-8-21-22(14-19)29-16-30-23(21)27-10-9-20-15-28-25(36-20)32-24(34)31-18-6-3-5-17(26)13-18/h3,5-8,13-16H,4,9-12H2,1-2H3,(H,27,29,30)(H2,28,31,32,34)
InChIKey
MMVLETOTGHDVPQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bpr-1K871
CAS: 2443767-35-7
CID: 126970666
Formula: C25H28ClN7O2S
MW: 526.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight526.1
XLogP34.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass525.1713720
Monoisotopic Mass525.1713720
Topological Polar Surface Area133 Ų
Heavy Atom Count36
Formal Charge0
Complexity678
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T10592-01BPR1K871

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