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BPI-15086

CAT: 0013-GTR19239361-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239361-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BPI-15086 is an orally bioavailable, irreversible tyrosine kinase inhibitor selective for EGFR mutants, including the T790M resistance mutation. It is a research tool for studying non-small cell lung cancer (NSCLC) in both in vitro and in vivo experimental models.
CAS Number
1644502-33-9
Field of Research
Cardiovascular Research, Immunology & Inflammation, Signal Transduction
Smiles
O=C (C=C) NC1=CC (NC2=NC=C (Cl) C (=N2) NC=3C=CC=CC3C (=O) C (=O) N (C) C) =C (OC) C=C1N4CCN (C) CC4
Molecular Formula
C29H33ClN8O4
Molecular Weight
593.08
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

US9783524, Example 74
CAS Number1644502-33-9
PubChem CID87055351
IUPAC NameN-[5-[[5-chloro-4-[2-[2-(dimethylamino)-2-oxoacetyl]anilino]pyrimidin-2-yl]amino]-4-methoxy-2-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
Molecular FormulaC29H33ClN8O4
Molecular Weight593.1
XLogP4.1
Topological Polar Surface Area132
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Heavy Atom Count42
Formal Charge0
Complexity949
SMILES
CN1CCN(CC1)C2=CC(=C(C=C2NC(=O)C=C)NC3=NC=C(C(=N3)NC4=CC=CC=C4C(=O)C(=O)N(C)C)Cl)OC
InChI
InChI=1S/C29H33ClN8O4/c1-6-25(39)32-21-15-22(24(42-5)16-23(21)38-13-11-37(4)12-14-38)34-29-31-17-19(30)27(35-29)33-20-10-8-7-9-18(20)26(40)28(41)36(2)3/h6-10,15-17H,1,11-14H2,2-5H3,(H,32,39)(H2,31,33,34,35)
InChIKey
VMFMUJZRXZXYAH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of US9783524, Example 74
CAS: 1644502-33-9
CID: 87055351
Formula: C29H33ClN8O4
MW: 593.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight593.1
XLogP34.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass592.2313293
Monoisotopic Mass592.2313293
Topological Polar Surface Area132 Ų
Heavy Atom Count42
Formal Charge0
Complexity949
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

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